6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide

C18H25N5O2 — CID 109344701

IUPAC6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCCCN(C)C)ncn2)cc1
InChIInChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17-11-16(21-13-22-17)18(24)20-12-14-5-7-15(25-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyNCBCRXAQANEWLS-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.78
Rot. Bonds9

About 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109344701) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109344701
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCCCN(C)C)ncn2)cc1
InChIInChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17-11-16(21-13-22-17)18(24)20-12-14-5-7-15(25-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyNCBCRXAQANEWLS-UHFFFAOYSA-N
XLogP1.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.78
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

6-(butylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109339838
N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109349158
6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112857735
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168
N-[(4-fluorophenyl)methyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343121
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349139
6-N-[2-(dimethylamino)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112857387
6-(2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349205

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 109344701) is 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(NCCCN(C)C)ncn2)cc1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is NCBCRXAQANEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17-11-16(21-13-22-17)18(24)20-12-14-5-7-15(25-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)(H,19,21,22).
What are the key properties of 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).