5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C32H34Br2F6N8 — CID 157408550

IUPAC5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1ncc(-c2ccc(C(F)(F)F)cn2)c(NC2CCCC2)n1.Cc1ncc(Br)c(NC2CCCC2)n1.FC(F)(F)c1ccc(Br)nc1
InChIInChI=1S/C16H17F3N4.C10H14BrN3.C6H3BrF3N/c1-10-20-9-13(15(22-10)23-12-4-2-3-5-12)14-7-6-11(8-21-14)16(17,18)19;1-7-12-6-9(11)10(13-7)14-8-4-2-3-5-8;7-5-2-1-4(3-11-5)6(8,9)10/h6-9,12H,2-5H2,1H3,(H,20,22,23);6,8H,2-5H2,1H3,(H,12,13,14);1-3H
InChIKeyBNZWYGLDPVLRSR-UHFFFAOYSA-N
MW804.48 g/mol
LogP9.99
Rot. Bonds5

About 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 157408550) has the molecular formula C32H34Br2F6N8 and a molecular weight of 804.48 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID157408550
Molecular FormulaC32H34Br2F6N8
Molecular Weight804.48 g/mol
Exact Mass802.12
IUPAC Name5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1ncc(-c2ccc(C(F)(F)F)cn2)c(NC2CCCC2)n1.Cc1ncc(Br)c(NC2CCCC2)n1.FC(F)(F)c1ccc(Br)nc1
InChIInChI=1S/C16H17F3N4.C10H14BrN3.C6H3BrF3N/c1-10-20-9-13(15(22-10)23-12-4-2-3-5-12)14-7-6-11(8-21-14)16(17,18)19;1-7-12-6-9(11)10(13-7)14-8-4-2-3-5-8;7-5-2-1-4(3-11-5)6(8,9)10/h6-9,12H,2-5H2,1H3,(H,20,22,23);6,8H,2-5H2,1H3,(H,12,13,14);1-3H
InChIKeyBNZWYGLDPVLRSR-UHFFFAOYSA-N
XLogP9.99
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.48
LogP ≤ 59.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(5-Bromo-3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 49863889
2-N-(3,3-difluorocyclopentyl)-4-N-(2-phenylpyridin-4-yl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117798716
4-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-[2,3']bipyridinyl-6'-ylamine
CID 86624638
3-[5-bromo-3-(fluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 68344173
2,6-dipyridin-2-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 69057845
N'-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
CID 69181728
1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 69184519
2-pyridin-2-yl-6-pyridin-3-yl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]ethyl]pyrimidin-4-amine
CID 69184520
1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 69184523
7-[5-bromo-3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 87302501
N-[(2,4-difluorophenyl)methyl]-2,6-bis[5-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-amine
CID 90315357
2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 90996003

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 157408550) is 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is Cc1ncc(-c2ccc(C(F)(F)F)cn2)c(NC2CCCC2)n1.Cc1ncc(Br)c(NC2CCCC2)n1.FC(F)(F)c1ccc(Br)nc1.
What is the InChIKey of 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is BNZWYGLDPVLRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4.C10H14BrN3.C6H3BrF3N/c1-10-20-9-13(15(22-10)23-12-4-2-3-5-12)14-7-6-11(8-21-14)16(17,18)19;1-7-12-6-9(11)10(13-7)14-8-4-2-3-5-8;7-5-2-1-4(3-11-5)6(8,9)10/h6-9,12H,2-5H2,1H3,(H,20,22,23);6,8H,2-5H2,1H3,(H,12,13,14);1-3H.
What are the key properties of 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 804.48 g/mol, XLogP of 9.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-2-methylpyrimidin-4-amine;2-bromo-5-(trifluoromethyl)pyridine;N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 157408550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).