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

C19H19N7O — CID 66835509

IUPAC6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile
SMILESCn1cc(CNc2cc(C#N)nc(OC[C@H]3C[C@@H]3c3ccccn3)n2)cn1
InChIInChI=1S/C19H19N7O/c1-26-11-13(10-23-26)9-22-18-7-15(8-20)24-19(25-18)27-12-14-6-16(14)17-4-2-3-5-21-17/h2-5,7,10-11,14,16H,6,9,12H2,1H3,(H,22,24,25)/t14-,16+/m1/s1
InChIKeyBOIMWZLQRYPHRX-ZBFHGGJFSA-N
MW361.41 g/mol
LogP2.27
Rot. Bonds7

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

6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile (PubChem CID 66835509) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile
PubChem CID66835509
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile
SMILESCn1cc(CNc2cc(C#N)nc(OC[C@H]3C[C@@H]3c3ccccn3)n2)cn1
InChIInChI=1S/C19H19N7O/c1-26-11-13(10-23-26)9-22-18-7-15(8-20)24-19(25-18)27-12-14-6-16(14)17-4-2-3-5-21-17/h2-5,7,10-11,14,16H,6,9,12H2,1H3,(H,22,24,25)/t14-,16+/m1/s1
InChIKeyBOIMWZLQRYPHRX-ZBFHGGJFSA-N
XLogP2.27
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile (CID 66835509) is 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile is Cn1cc(CNc2cc(C#N)nc(OC[C@H]3C[C@@H]3c3ccccn3)n2)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile?
The InChIKey is BOIMWZLQRYPHRX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H19N7O/c1-26-11-13(10-23-26)9-22-18-7-15(8-20)24-19(25-18)27-12-14-6-16(14)17-4-2-3-5-21-17/h2-5,7,10-11,14,16H,6,9,12H2,1H3,(H,22,24,25)/t14-,16+/m1/s1.
What are the key properties of 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile?
6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)methylamino]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4-carbonitrile is sourced from PubChem (CID 66835509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).