4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride

C11H19ClN4O3 — CID 119431078

IUPAC4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1c(OC)ncnc1OC.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-12-5-4-6-13-9(16)8-10(17-2)14-7-15-11(8)18-3;/h7,12H,4-6H2,1-3H3,(H,13,16);1H
InChIKeyHVNWRNUGZHGCHY-UHFFFAOYSA-N
MW290.75 g/mol
LogP0.25
Rot. Bonds7

About 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride

4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 119431078) has the molecular formula C11H19ClN4O3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID119431078
Molecular FormulaC11H19ClN4O3
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC Name4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1c(OC)ncnc1OC.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-12-5-4-6-13-9(16)8-10(17-2)14-7-15-11(8)18-3;/h7,12H,4-6H2,1-3H3,(H,13,16);1H
InChIKeyHVNWRNUGZHGCHY-UHFFFAOYSA-N
XLogP0.25
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride (CID 119431078) is 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride is CNCCCNC(=O)c1c(OC)ncnc1OC.Cl.
What is the InChIKey of 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is HVNWRNUGZHGCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3.ClH/c1-12-5-4-6-13-9(16)8-10(17-2)14-7-15-11(8)18-3;/h7,12H,4-6H2,1-3H3,(H,13,16);1H.
What are the key properties of 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride?
4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119431078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).