6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile

C18H21N7O — CID 126428881

IUPAC6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3cc([C@H]4CCOC4)nc(N)n3)CC2)nc1
InChIInChI=1S/C18H21N7O/c19-10-13-1-2-16(21-11-13)24-4-6-25(7-5-24)17-9-15(22-18(20)23-17)14-3-8-26-12-14/h1-2,9,11,14H,3-8,12H2,(H2,20,22,23)/t14-/m0/s1
InChIKeyQGSPKANITMHWTL-AWEZNQCLSA-N
MW351.41 g/mol
LogP1.16
Rot. Bonds3

About 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 126428881) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID126428881
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3cc([C@H]4CCOC4)nc(N)n3)CC2)nc1
InChIInChI=1S/C18H21N7O/c19-10-13-1-2-16(21-11-13)24-4-6-25(7-5-24)17-9-15(22-18(20)23-17)14-3-8-26-12-14/h1-2,9,11,14H,3-8,12H2,(H2,20,22,23)/t14-/m0/s1
InChIKeyQGSPKANITMHWTL-AWEZNQCLSA-N
XLogP1.16
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 126428881) is 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(c3cc([C@H]4CCOC4)nc(N)n3)CC2)nc1.
What is the InChIKey of 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QGSPKANITMHWTL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N7O/c19-10-13-1-2-16(21-11-13)24-4-6-25(7-5-24)17-9-15(22-18(20)23-17)14-3-8-26-12-14/h1-2,9,11,14H,3-8,12H2,(H2,20,22,23)/t14-/m0/s1.
What are the key properties of 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126428881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).