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'}

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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).