6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile

C15H15N5O — CID 120917031

IUPAC6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N[C@H]2CCO[C@@H]2c2cccnc2)n1
InChIInChI=1S/C15H15N5O/c1-10-7-12(8-16)19-15(18-10)20-13-4-6-21-14(13)11-3-2-5-17-9-11/h2-3,5,7,9,13-14H,4,6H2,1H3,(H,18,19,20)/t13-,14+/m0/s1
InChIKeyVJMWGYXKEQECEY-UONOGXRCSA-N
MW281.32 g/mol
LogP1.99
Rot. Bonds3

About 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile

6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile (PubChem CID 120917031) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile
PubChem CID120917031
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N[C@H]2CCO[C@@H]2c2cccnc2)n1
InChIInChI=1S/C15H15N5O/c1-10-7-12(8-16)19-15(18-10)20-13-4-6-21-14(13)11-3-2-5-17-9-11/h2-3,5,7,9,13-14H,4,6H2,1H3,(H,18,19,20)/t13-,14+/m0/s1
InChIKeyVJMWGYXKEQECEY-UONOGXRCSA-N
XLogP1.99
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile (CID 120917031) is 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N[C@H]2CCO[C@@H]2c2cccnc2)n1.
What is the InChIKey of 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile?
The InChIKey is VJMWGYXKEQECEY-UONOGXRCSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-7-12(8-16)19-15(18-10)20-13-4-6-21-14(13)11-3-2-5-17-9-11/h2-3,5,7,9,13-14H,4,6H2,1H3,(H,18,19,20)/t13-,14+/m0/s1.
What are the key properties of 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile?
6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 120917031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).