N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C15H13F3N6S — CID 56872487

IUPACN-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCc2csc(-c3ncccn3)n2)n1
InChIInChI=1S/C15H13F3N6S/c16-15(17,18)4-2-10-3-7-21-14(24-10)22-8-11-9-25-13(23-11)12-19-5-1-6-20-12/h1,3,5-7,9H,2,4,8H2,(H,21,22,24)
InChIKeyCSBURYDSFMXISK-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.50
Rot. Bonds6

About N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56872487) has the molecular formula C15H13F3N6S and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56872487
Molecular FormulaC15H13F3N6S
Molecular Weight366.37 g/mol
Exact Mass366.09
IUPAC NameN-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCc2csc(-c3ncccn3)n2)n1
InChIInChI=1S/C15H13F3N6S/c16-15(17,18)4-2-10-3-7-21-14(24-10)22-8-11-9-25-13(23-11)12-19-5-1-6-20-12/h1,3,5-7,9H,2,4,8H2,(H,21,22,24)
InChIKeyCSBURYDSFMXISK-UHFFFAOYSA-N
XLogP3.50
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine with MolForge

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Related Compounds

N-propyl-5-(2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52947055
4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 746607
4-Pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole
CID 140993853
4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)pyridin-4-yl]-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817130
N2-(3,3-difluorocyclobutyl)-N4-(2-(trifluoromethyl)pyridin-4-yl)-6-(4-(trifluoromethyl)thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 117817151
2-N-(3,3-difluorocyclopentyl)-4-N-[2-(trifluoromethyl)pyridin-4-yl]-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817453
4-[amino(cyclohexyl)methyl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49789622
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 134145743
2-Amino-6-(thiazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 2823377
2-[6-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
CID 45174622
4-(1-aminoethyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49795542

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56872487) is N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NCc2csc(-c3ncccn3)n2)n1.
What is the InChIKey of N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is CSBURYDSFMXISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6S/c16-15(17,18)4-2-10-3-7-21-14(24-10)22-8-11-9-25-13(23-11)12-19-5-1-6-20-12/h1,3,5-7,9H,2,4,8H2,(H,21,22,24).
What are the key properties of N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 366.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56872487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).