N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide

C18H25N5O3 — CID 109301799

IUPACN-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCCN(C)C)n2)cc1OC
InChIInChI=1S/C18H25N5O3/c1-23(2)11-5-9-19-18-20-10-8-14(22-18)17(24)21-13-6-7-15(25-3)16(12-13)26-4/h6-8,10,12H,5,9,11H2,1-4H3,(H,21,24)(H,19,20,22)
InChIKeyMSKWGEYYTPUFQO-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.11
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide (PubChem CID 109301799) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
PubChem CID109301799
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCCN(C)C)n2)cc1OC
InChIInChI=1S/C18H25N5O3/c1-23(2)11-5-9-19-18-20-10-8-14(22-18)17(24)21-13-6-7-15(25-3)16(12-13)26-4/h6-8,10,12H,5,9,11H2,1-4H3,(H,21,24)(H,19,20,22)
InChIKeyMSKWGEYYTPUFQO-UHFFFAOYSA-N
XLogP2.11
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109301809
N-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301826
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306011
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109299423
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712
N-(3-chloro-4-methoxyphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311780
2-[3-(dimethylamino)propylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109301852
N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301831
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300819
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344173
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109311828

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide (CID 109301799) is N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCCCN(C)C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The InChIKey is MSKWGEYYTPUFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-23(2)11-5-9-19-18-20-10-8-14(22-18)17(24)21-13-6-7-15(25-3)16(12-13)26-4/h6-8,10,12H,5,9,11H2,1-4H3,(H,21,24)(H,19,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109301799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).