4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine

C19H21N5O2 — CID 71061106

IUPAC4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c2)nc1
InChIInChI=1S/C19H21N5O2/c1-12-20-9-17(14-7-22-24(2)10-14)19(23-12)26-11-13-6-16(13)18-5-4-15(25-3)8-21-18/h4-5,7-10,13,16H,6,11H2,1-3H3/t13-,16+/m1/s1
InChIKeyHHKWMTRMYWMUDH-CJNGLKHVSA-N
MW351.41 g/mol
LogP2.77
Rot. Bonds6

About 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 71061106) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID71061106
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c2)nc1
InChIInChI=1S/C19H21N5O2/c1-12-20-9-17(14-7-22-24(2)10-14)19(23-12)26-11-13-6-16(13)18-5-4-15(25-3)8-21-18/h4-5,7-10,13,16H,6,11H2,1-3H3/t13-,16+/m1/s1
InChIKeyHHKWMTRMYWMUDH-CJNGLKHVSA-N
XLogP2.77
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine (CID 71061106) is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c2)nc1.
What is the InChIKey of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is HHKWMTRMYWMUDH-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-20-9-17(14-7-22-24(2)10-14)19(23-12)26-11-13-6-16(13)18-5-4-15(25-3)8-21-18/h4-5,7-10,13,16H,6,11H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine?
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 351.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 71061106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).