4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one

C14H18N4O2 — CID 136979168

IUPAC4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(O)c2ccc(N)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-12-17-13(7-14(20)18-12)16-8-11(19)9-3-5-10(15)6-4-9/h3-7,11,19H,2,8,15H2,1H3,(H2,16,17,18,20)
InChIKeyCKPAMGANQBQWDM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds5

About 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one

4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136979168) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136979168
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(O)c2ccc(N)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-12-17-13(7-14(20)18-12)16-8-11(19)9-3-5-10(15)6-4-9/h3-7,11,19H,2,8,15H2,1H3,(H2,16,17,18,20)
InChIKeyCKPAMGANQBQWDM-UHFFFAOYSA-N
XLogP1.06
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 136959105
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
CID 61224926
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanamide
CID 136974611
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 137008677
4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 137008661

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one (CID 136979168) is 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NCC(O)c2ccc(N)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is CKPAMGANQBQWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-12-17-13(7-14(20)18-12)16-8-11(19)9-3-5-10(15)6-4-9/h3-7,11,19H,2,8,15H2,1H3,(H2,16,17,18,20).
What are the key properties of 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one?
4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).