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

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

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Related Compounds

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CID 121249291
Dhodh-IN-1
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CID 23648676
2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
CID 86270079
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
14-Fluoro-3-methyl-10,18-dioxa-3,4,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2(6),4,11(16),12,14,19,21-octaen-20-amine
CID 71732092
4-[5-(2-methoxyethoxy)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 6539449
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25138080
ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
CID 25138084
Pyrazolo[1,5-a]-1,3,5-triazine, 13-11
CID 42618217

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).