2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C20H22N4O2 — CID 109326812

IUPAC2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C20H22N4O2/c1-15-13-18(24-20(23-15)22-14-17-10-6-12-26-17)19(25)21-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyVEROTAIFLASGMK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.35
Rot. Bonds8

About 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109326812) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109326812
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C20H22N4O2/c1-15-13-18(24-20(23-15)22-14-17-10-6-12-26-17)19(25)21-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyVEROTAIFLASGMK-UHFFFAOYSA-N
XLogP3.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326799
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109326830
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332533
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902
N-(2-ethylphenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326839
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109329174

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109326812) is 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCCc2ccccc2)nc(NCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is VEROTAIFLASGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-13-18(24-20(23-15)22-14-17-10-6-12-26-17)19(25)21-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109326812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).