N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride

C10H17ClN4O3 — CID 119406241

IUPACN-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride
SMILESCOc1ncnc(OC)c1C(=O)NCCCN.Cl
InChIInChI=1S/C10H16N4O3.ClH/c1-16-9-7(8(15)12-5-3-4-11)10(17-2)14-6-13-9;/h6H,3-5,11H2,1-2H3,(H,12,15);1H
InChIKeyFWCKUXOOLJFTLN-UHFFFAOYSA-N
MW276.72 g/mol
LogP-0.01
Rot. Bonds6

About N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride

N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 119406241) has the molecular formula C10H17ClN4O3 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride
PubChem CID119406241
Molecular FormulaC10H17ClN4O3
Molecular Weight276.72 g/mol
Exact Mass276.10
IUPAC NameN-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride
SMILESCOc1ncnc(OC)c1C(=O)NCCCN.Cl
InChIInChI=1S/C10H16N4O3.ClH/c1-16-9-7(8(15)12-5-3-4-11)10(17-2)14-6-13-9;/h6H,3-5,11H2,1-2H3,(H,12,15);1H
InChIKeyFWCKUXOOLJFTLN-UHFFFAOYSA-N
XLogP-0.01
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
CID 10969334
5-Pyrimidinecarboxamide, 2-amino-N-(2-(diethylamino)ethyl)-4-methoxy-
CID 3055434
5-Pyrimidinecarboxamide, 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxy-
CID 3069098
5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(2-(1-pyrrolidinyl)ethyl)-
CID 3069099
5-Pyrimidinecarboxamide, 2-amino-N-(3-(dimethylamino)propyl)-4-methoxy-
CID 3069100
5-Pyrimidinecarboxamide, 2-amino-N-(3-(diethylamino)propyl)-4-methoxy-
CID 3069101
5-Pyrimidinecarboxamide, 2-amino-N-(2-(diethylamino)propyl)-4-methoxy-
CID 3069102
5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(1-methyl-4-piperidinyl)-
CID 3069113
5-Pyrimidinecarboxamide, 2-amino-N-(1-ethyl-4-piperidyl)-4-methoxy-
CID 3069114
4,6-Dimethoxypyrimidine-5-carbaldehyde
CID 4436645
4-amino-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-5-one
CID 67450168
5-Pyrimidinecarboxamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-, monohydrochloride
CID 3055419

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride (CID 119406241) is N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride is COc1ncnc(OC)c1C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is FWCKUXOOLJFTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3.ClH/c1-16-9-7(8(15)12-5-3-4-11)10(17-2)14-6-13-9;/h6H,3-5,11H2,1-2H3,(H,12,15);1H.
What are the key properties of N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride?
N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 276.72 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119406241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).