4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one

C19H20N4O2 — CID 169101444

IUPAC4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one
SMILESO=c1cc(CNCCO)nc(Nc2cccc(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C19H20N4O2/c24-10-9-20-13-17-12-18(25)23-19(22-17)21-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11-12,20,24H,9-10,13H2,(H2,21,22,23,25)
InChIKeyRHMSLJUYTZJPHJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.26
Rot. Bonds7

About 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one

4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one (PubChem CID 169101444) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one
PubChem CID169101444
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one
SMILESO=c1cc(CNCCO)nc(Nc2cccc(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C19H20N4O2/c24-10-9-20-13-17-12-18(25)23-19(22-17)21-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11-12,20,24H,9-10,13H2,(H2,21,22,23,25)
InChIKeyRHMSLJUYTZJPHJ-UHFFFAOYSA-N
XLogP2.26
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxyethyl)amino]-5,5-dimethyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 1893664
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 135446356
5-Ethyl-2-((2-hydroxyethyl)amino)-5-methyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 662521
5-ethyl-2-[(2-hydroxyethyl)amino]-5-methyl-3-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 2946503
2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one
CID 169101443
2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1719568
2-[4-Ethyl-2-(morpholin-4-YL)-6-oxo-1,6-dihydropyrimidin-1-YL]-N-[3-(propan-2-YL)phenyl]acetamide
CID 91903991
2-{2-[Benzyl(methyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(3-methylphenyl)acetamide
CID 91904076
2-{2-[Benzyl(methyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(3-ethylphenyl)acetamide
CID 91904089
2-{2-[(3,5-Dimethylphenyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(3-ethylphenyl)acetamide
CID 91913746
2-{4-Methyl-2-[(3-methylphenyl)amino]-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(4-methylphenyl)acetamide
CID 53201906
2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 2861843

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one (CID 169101444) is 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one is O=c1cc(CNCCO)nc(Nc2cccc(-c3ccccc3)c2)[nH]1.
What is the InChIKey of 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one?
The InChIKey is RHMSLJUYTZJPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-10-9-20-13-17-12-18(25)23-19(22-17)21-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11-12,20,24H,9-10,13H2,(H2,21,22,23,25).
What are the key properties of 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one?
4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one has a molecular weight of 336.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyethylamino)methyl]-2-(3-phenylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 169101444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).