N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine

C11H16F2N4 — CID 134543038

IUPACN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C11H16F2N4/c1-8-4-15-10(16-5-8)17-6-9-2-3-14-7-11(9,12)13/h4-5,9,14H,2-3,6-7H2,1H3,(H,15,16,17)/t9-/m1/s1
InChIKeyGTOAXVVGFKSZRL-SECBINFHSA-N
MW242.27 g/mol
LogP1.44
Rot. Bonds3

About N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine (PubChem CID 134543038) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine
PubChem CID134543038
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C11H16F2N4/c1-8-4-15-10(16-5-8)17-6-9-2-3-14-7-11(9,12)13/h4-5,9,14H,2-3,6-7H2,1H3,(H,15,16,17)/t9-/m1/s1
InChIKeyGTOAXVVGFKSZRL-SECBINFHSA-N
XLogP1.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine (CID 134543038) is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine is Cc1cnc(NC[C@H]2CCNCC2(F)F)nc1.
What is the InChIKey of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine?
The InChIKey is GTOAXVVGFKSZRL-SECBINFHSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-8-4-15-10(16-5-8)17-6-9-2-3-14-7-11(9,12)13/h4-5,9,14H,2-3,6-7H2,1H3,(H,15,16,17)/t9-/m1/s1.
What are the key properties of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine?
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine has a molecular weight of 242.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 134543038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).