4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one

C10H17N3O2 — CID 136780060

IUPAC4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(NCCO)n1
InChIInChI=1S/C10H17N3O2/c1-2-3-4-8-7-9(15)13-10(12-8)11-5-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyIPYTWPWKTMXAGT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.52
Rot. Bonds6

About 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one

4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136780060) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID136780060
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(NCCO)n1
InChIInChI=1S/C10H17N3O2/c1-2-3-4-8-7-9(15)13-10(12-8)11-5-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyIPYTWPWKTMXAGT-UHFFFAOYSA-N
XLogP0.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
6-butyl-2-(4-morpholinyl)-4(3H)-pyrimidinone
CID 135990496
2-(2-Hydroxyethylamino)-3,6-dimethylpyrimidin-4(3h)-one
CID 11615291
2-(2-Hydroxyethyl)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 12139398
4-butyl-2-(diethylamino)-1H-pyrimidin-6-one
CID 136369540
2-[[(6-aminohexylamino)-hydroxymethyl]amino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 137141109
4-butyl-2-(dimethylamino)-1H-pyrimidin-6-one
CID 164088499
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid
CID 169040483
2-[4-(2-Hydroxyethyl)piperazinyl]-6-propyl-3-hydropyrimidin-4-one
CID 135456338
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one
CID 135571620
1-(2-hydroxyethyl)-3-(4-nonyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 136231370
2-(3-methoxypropylamino)-4-propyl-1H-pyrimidin-6-one
CID 136362391

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one (CID 136780060) is 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one is CCCCc1cc(=O)[nH]c(NCCO)n1.
What is the InChIKey of 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is IPYTWPWKTMXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-4-8-7-9(15)13-10(12-8)11-5-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136780060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).