6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile

C19H23N7 — CID 69090203

IUPAC6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CCC(C3CCNCC3)C[C@@H]2c2ncccn2)ncn1
InChIInChI=1S/C19H23N7/c20-12-16-11-18(25-13-24-16)26-9-4-15(14-2-7-21-8-3-14)10-17(26)19-22-5-1-6-23-19/h1,5-6,11,13-15,17,21H,2-4,7-10H2/t15?,17-/m1/s1
InChIKeyXACVMEKMFJQPDS-OMOCHNIRSA-N
MW349.44 g/mol
LogP2.10
Rot. Bonds3

About 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile

6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 69090203) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID69090203
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CCC(C3CCNCC3)C[C@@H]2c2ncccn2)ncn1
InChIInChI=1S/C19H23N7/c20-12-16-11-18(25-13-24-16)26-9-4-15(14-2-7-21-8-3-14)10-17(26)19-22-5-1-6-23-19/h1,5-6,11,13-15,17,21H,2-4,7-10H2/t15?,17-/m1/s1
InChIKeyXACVMEKMFJQPDS-OMOCHNIRSA-N
XLogP2.10
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile (CID 69090203) is 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile is N#Cc1cc(N2CCC(C3CCNCC3)C[C@@H]2c2ncccn2)ncn1.
What is the InChIKey of 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is XACVMEKMFJQPDS-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H23N7/c20-12-16-11-18(25-13-24-16)26-9-4-15(14-2-7-21-8-3-14)10-17(26)19-22-5-1-6-23-19/h1,5-6,11,13-15,17,21H,2-4,7-10H2/t15?,17-/m1/s1.
What are the key properties of 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile?
6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-4-piperidin-4-yl-2-pyrimidin-2-ylpiperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 69090203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).