6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C17H23N5O2 — CID 109343138

IUPAC6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C17H23N5O2/c1-22(10-6-14-4-8-18-9-5-14)17(23)15-12-16(21-13-20-15)19-7-3-11-24-2/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyWTWCZVWWLITQGJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.63
Rot. Bonds9

About 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109343138) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109343138
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C17H23N5O2/c1-22(10-6-14-4-8-18-9-5-14)17(23)15-12-16(21-13-20-15)19-7-3-11-24-2/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyWTWCZVWWLITQGJ-UHFFFAOYSA-N
XLogP1.63
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351161
6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109340614
N-methyl-N-(2-pyridin-4-ylethyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109351665
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109343247
2-(2-methoxyethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109251520
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
N-[(4-fluorophenyl)methyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343121
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109343138) is 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is COCCCNc1cc(C(=O)N(C)CCc2ccncc2)ncn1.
What is the InChIKey of 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is WTWCZVWWLITQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-22(10-6-14-4-8-18-9-5-14)17(23)15-12-16(21-13-20-15)19-7-3-11-24-2/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).