6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide

C21H22N4O3 — CID 68558474

IUPAC6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2cccc(OCc3ccccc3)c2)ncn1
InChIInChI=1S/C21H22N4O3/c1-27-11-10-22-20-13-19(23-15-24-20)21(26)25-17-8-5-9-18(12-17)28-14-16-6-3-2-4-7-16/h2-9,12-13,15H,10-11,14H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyCVTCWMHSIPJSTK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.37
Rot. Bonds9

About 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide

6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 68558474) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID68558474
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2cccc(OCc3ccccc3)c2)ncn1
InChIInChI=1S/C21H22N4O3/c1-27-11-10-22-20-13-19(23-15-24-20)21(26)25-17-8-5-9-18(12-17)28-14-16-6-3-2-4-7-16/h2-9,12-13,15H,10-11,14H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyCVTCWMHSIPJSTK-UHFFFAOYSA-N
XLogP3.37
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.37
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-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109342870
4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109205989
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351198
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
6-(pentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109354484

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide (CID 68558474) is 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2cccc(OCc3ccccc3)c2)ncn1.
What is the InChIKey of 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is CVTCWMHSIPJSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-11-10-22-20-13-19(23-15-24-20)21(26)25-17-8-5-9-18(12-17)28-14-16-6-3-2-4-7-16/h2-9,12-13,15H,10-11,14H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide?
6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 68558474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).