4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine

C14H17F2N7O — CID 163640411

IUPAC4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCc1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C14H17F2N7O/c1-7-6-24-4-3-23(7)14-20-8(2)19-12(22-14)9-5-18-13(17)21-10(9)11(15)16/h5,7,11H,3-4,6H2,1-2H3,(H2,17,18,21)/t7-/m0/s1
InChIKeyIDTLAPPGHXAYAY-ZETCQYMHSA-N
MW337.33 g/mol
LogP1.38
Rot. Bonds3

About 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine

4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine (PubChem CID 163640411) has the molecular formula C14H17F2N7O and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine
PubChem CID163640411
Molecular FormulaC14H17F2N7O
Molecular Weight337.33 g/mol
Exact Mass337.15
IUPAC Name4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCc1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C14H17F2N7O/c1-7-6-24-4-3-23(7)14-20-8(2)19-12(22-14)9-5-18-13(17)21-10(9)11(15)16/h5,7,11H,3-4,6H2,1-2H3,(H2,17,18,21)/t7-/m0/s1
InChIKeyIDTLAPPGHXAYAY-ZETCQYMHSA-N
XLogP1.38
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine (CID 163640411) is 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine is Cc1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOC[C@@H]2C)n1.
What is the InChIKey of 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The InChIKey is IDTLAPPGHXAYAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H17F2N7O/c1-7-6-24-4-3-23(7)14-20-8(2)19-12(22-14)9-5-18-13(17)21-10(9)11(15)16/h5,7,11H,3-4,6H2,1-2H3,(H2,17,18,21)/t7-/m0/s1.
What are the key properties of 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine?
4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine has a molecular weight of 337.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 163640411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).