1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide

C11H16N4O3 — CID 107624981

IUPAC1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)C2(CN)CC2)n1
InChIInChI=1S/C11H16N4O3/c1-17-7-5-8(18-2)14-10(13-7)15-9(16)11(6-12)3-4-11/h5H,3-4,6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyBCXGRLMUJNLEGJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.17
Rot. Bonds5

About 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 107624981) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID107624981
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)C2(CN)CC2)n1
InChIInChI=1S/C11H16N4O3/c1-17-7-5-8(18-2)14-10(13-7)15-9(16)11(6-12)3-4-11/h5H,3-4,6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyBCXGRLMUJNLEGJ-UHFFFAOYSA-N
XLogP0.17
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
CID 107625898
1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
CID 2326893
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722
1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
CID 114387210
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 115453354
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide (CID 107624981) is 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide is COc1cc(OC)nc(NC(=O)C2(CN)CC2)n1.
What is the InChIKey of 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is BCXGRLMUJNLEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-17-7-5-8(18-2)14-10(13-7)15-9(16)11(6-12)3-4-11/h5H,3-4,6,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107624981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).