1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide

C21H26N4O2 — CID 122317784

IUPAC1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCc2nc(C)cc(N3CCCC3)n2)CC1
InChIInChI=1S/C21H26N4O2/c1-15-13-19(25-11-5-6-12-25)24-18(23-15)14-22-20(26)21(9-10-21)16-7-3-4-8-17(16)27-2/h3-4,7-8,13H,5-6,9-12,14H2,1-2H3,(H,22,26)
InChIKeyMSOQRTWWLJKVNH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.74
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide

1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 122317784) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID122317784
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCc2nc(C)cc(N3CCCC3)n2)CC1
InChIInChI=1S/C21H26N4O2/c1-15-13-19(25-11-5-6-12-25)24-18(23-15)14-22-20(26)21(9-10-21)16-7-3-4-8-17(16)27-2/h3-4,7-8,13H,5-6,9-12,14H2,1-2H3,(H,22,26)
InChIKeyMSOQRTWWLJKVNH-UHFFFAOYSA-N
XLogP2.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
1-(3,4-dimethoxyphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318416
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 122317868
3-fluoro-4-methoxy-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122317873
1-(2-ethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318115
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122348099
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 122321142
1-(2,3-dimethylphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122317720
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122317676

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide (CID 122317784) is 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCc2nc(C)cc(N3CCCC3)n2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is MSOQRTWWLJKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-13-19(25-11-5-6-12-25)24-18(23-15)14-22-20(26)21(9-10-21)16-7-3-4-8-17(16)27-2/h3-4,7-8,13H,5-6,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122317784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).