2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine

C19H21F6N7 — CID 144770986

IUPAC2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3ccnc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C19H21F6N7/c1-17(20)5-2-10(8-17)27-15-30-13(12-4-7-26-14(29-12)19(23,24)25)31-16(32-15)28-11-3-6-18(21,22)9-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,27,28,30,31,32)
InChIKeyPKNCHWBGABXVJV-UHFFFAOYSA-N
MW461.41 g/mol
LogP4.64
Rot. Bonds5

About 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine

2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 144770986) has the molecular formula C19H21F6N7 and a molecular weight of 461.41 g/mol. Its IUPAC name is 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID144770986
Molecular FormulaC19H21F6N7
Molecular Weight461.41 g/mol
Exact Mass461.18
IUPAC Name2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3ccnc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C19H21F6N7/c1-17(20)5-2-10(8-17)27-15-30-13(12-4-7-26-14(29-12)19(23,24)25)31-16(32-15)28-11-3-6-18(21,22)9-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,27,28,30,31,32)
InChIKeyPKNCHWBGABXVJV-UHFFFAOYSA-N
XLogP4.64
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine (CID 144770986) is 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine is CC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3ccnc(C(F)(F)F)n3)n2)C1.
What is the InChIKey of 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PKNCHWBGABXVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F6N7/c1-17(20)5-2-10(8-17)27-15-30-13(12-4-7-26-14(29-12)19(23,24)25)31-16(32-15)28-11-3-6-18(21,22)9-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,27,28,30,31,32).
What are the key properties of 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine?
2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 461.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-difluorocyclopentyl)-4-N-(3-fluoro-3-methylcyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 144770986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).