6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile

C14H16N6O — CID 154761469

IUPAC6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC[C@H]2CCO[C@@H]2c2cn[nH]c2)n1
InChIInChI=1S/C14H16N6O/c1-9-4-12(5-15)20-14(19-9)16-6-10-2-3-21-13(10)11-7-17-18-8-11/h4,7-8,10,13H,2-3,6H2,1H3,(H,17,18)(H,16,19,20)/t10-,13+/m1/s1
InChIKeyRHQSDHRDLKELHC-MFKMUULPSA-N
MW284.32 g/mol
LogP1.57
Rot. Bonds4

About 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile

6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile (PubChem CID 154761469) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile
PubChem CID154761469
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC[C@H]2CCO[C@@H]2c2cn[nH]c2)n1
InChIInChI=1S/C14H16N6O/c1-9-4-12(5-15)20-14(19-9)16-6-10-2-3-21-13(10)11-7-17-18-8-11/h4,7-8,10,13H,2-3,6H2,1H3,(H,17,18)(H,16,19,20)/t10-,13+/m1/s1
InChIKeyRHQSDHRDLKELHC-MFKMUULPSA-N
XLogP1.57
TPSA99.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile (CID 154761469) is 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC[C@H]2CCO[C@@H]2c2cn[nH]c2)n1.
What is the InChIKey of 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile?
The InChIKey is RHQSDHRDLKELHC-MFKMUULPSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-4-12(5-15)20-14(19-9)16-6-10-2-3-21-13(10)11-7-17-18-8-11/h4,7-8,10,13H,2-3,6H2,1H3,(H,17,18)(H,16,19,20)/t10-,13+/m1/s1.
What are the key properties of 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile?
6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 154761469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).