6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile

C19H19N7O — CID 56949353

IUPAC6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile
SMILESCN(c1cnn(C)c1)c1cc(C#N)nc(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C19H19N7O/c1-25-11-15(10-22-25)26(2)18-8-14(9-20)23-19(24-18)27-12-13-7-16(13)17-5-3-4-6-21-17/h3-6,8,10-11,13,16H,7,12H2,1-2H3/t13-,16+/m1/s1
InChIKeyYWRRDSYFYUIBRT-CJNGLKHVSA-N
MW361.41 g/mol
LogP2.43
Rot. Bonds6

About 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile

6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile (PubChem CID 56949353) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile
PubChem CID56949353
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile
SMILESCN(c1cnn(C)c1)c1cc(C#N)nc(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C19H19N7O/c1-25-11-15(10-22-25)26(2)18-8-14(9-20)23-19(24-18)27-12-13-7-16(13)17-5-3-4-6-21-17/h3-6,8,10-11,13,16H,7,12H2,1-2H3/t13-,16+/m1/s1
InChIKeyYWRRDSYFYUIBRT-CJNGLKHVSA-N
XLogP2.43
TPSA92.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile (CID 56949353) is 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile is CN(c1cnn(C)c1)c1cc(C#N)nc(OC[C@H]2C[C@@H]2c2ccccn2)n1.
What is the InChIKey of 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile?
The InChIKey is YWRRDSYFYUIBRT-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H19N7O/c1-25-11-15(10-22-25)26(2)18-8-14(9-20)23-19(24-18)27-12-13-7-16(13)17-5-3-4-6-21-17/h3-6,8,10-11,13,16H,7,12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile?
6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(1-methylpyrazol-4-yl)amino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile is sourced from PubChem (CID 56949353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).