N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride

C13H21ClN4O3 — CID 119602187

IUPACN-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride
SMILESCOc1ncnc(OC)c1C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H20N4O3.ClH/c1-19-12-10(13(20-2)16-7-15-12)11(18)17-9-5-3-4-8(9)6-14;/h7-9H,3-6,14H2,1-2H3,(H,17,18);1H
InChIKeyZBBOHWUCYJDWMH-UHFFFAOYSA-N
MW316.79 g/mol
LogP0.77
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 119602187) has the molecular formula C13H21ClN4O3 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride
PubChem CID119602187
Molecular FormulaC13H21ClN4O3
Molecular Weight316.79 g/mol
Exact Mass316.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride
SMILESCOc1ncnc(OC)c1C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H20N4O3.ClH/c1-19-12-10(13(20-2)16-7-15-12)11(18)17-9-5-3-4-8(9)6-14;/h7-9H,3-6,14H2,1-2H3,(H,17,18);1H
InChIKeyZBBOHWUCYJDWMH-UHFFFAOYSA-N
XLogP0.77
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119603961
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride (CID 119602187) is N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride is COc1ncnc(OC)c1C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is ZBBOHWUCYJDWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3.ClH/c1-19-12-10(13(20-2)16-7-15-12)11(18)17-9-5-3-4-8(9)6-14;/h7-9H,3-6,14H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119602187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).