2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile

C11H13F2N5 — CID 134542859

IUPAC2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C11H13F2N5/c12-11(13)7-15-2-1-9(11)6-18-10-16-4-8(3-14)5-17-10/h4-5,9,15H,1-2,6-7H2,(H,16,17,18)/t9-/m1/s1
InChIKeyQHAABZRORYBUFC-SECBINFHSA-N
MW253.26 g/mol
LogP1.00
Rot. Bonds3

About 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile

2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 134542859) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile
PubChem CID134542859
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C11H13F2N5/c12-11(13)7-15-2-1-9(11)6-18-10-16-4-8(3-14)5-17-10/h4-5,9,15H,1-2,6-7H2,(H,16,17,18)/t9-/m1/s1
InChIKeyQHAABZRORYBUFC-SECBINFHSA-N
XLogP1.00
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile (CID 134542859) is 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile is N#Cc1cnc(NC[C@H]2CCNCC2(F)F)nc1.
What is the InChIKey of 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is QHAABZRORYBUFC-SECBINFHSA-N. The full InChI is InChI=1S/C11H13F2N5/c12-11(13)7-15-2-1-9(11)6-18-10-16-4-8(3-14)5-17-10/h4-5,9,15H,1-2,6-7H2,(H,16,17,18)/t9-/m1/s1.
What are the key properties of 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile?
2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 253.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-3,3-difluoropiperidin-4-yl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 134542859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).