N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109343247

IUPACN-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)ncn1
InChIInChI=1S/C22H24N4O2/c1-28-14-8-13-23-21-15-20(24-17-25-21)22(27)26(19-11-6-3-7-12-19)16-18-9-4-2-5-10-18/h2-7,9-12,15,17H,8,13-14,16H2,1H3,(H,23,24,25)
InChIKeyGKFAVMMVHWVFHQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.77
Rot. Bonds9

About N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide

N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109343247) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109343247
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)ncn1
InChIInChI=1S/C22H24N4O2/c1-28-14-8-13-23-21-15-20(24-17-25-21)22(27)26(19-11-6-3-7-12-19)16-18-9-4-2-5-10-18/h2-7,9-12,15,17H,8,13-14,16H2,1H3,(H,23,24,25)
InChIKeyGKFAVMMVHWVFHQ-UHFFFAOYSA-N
XLogP3.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351316
N-ethyl-6-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342915
6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109343138
N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109343842
N-[(4-fluorophenyl)methyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343121
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 2073637
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109079334
N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109349158
[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341012

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide (CID 109343247) is N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide is COCCCNc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)ncn1.
What is the InChIKey of N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is GKFAVMMVHWVFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-14-8-13-23-21-15-20(24-17-25-21)22(27)26(19-11-6-3-7-12-19)16-18-9-4-2-5-10-18/h2-7,9-12,15,17H,8,13-14,16H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide?
N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109343247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).