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

C9H15N3O2 — CID 136780059

IUPAC2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NCCO)n1
InChIInChI=1S/C9H15N3O2/c1-2-3-7-6-8(14)12-9(11-7)10-4-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyFPYYYLZWVLVRSX-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.13
Rot. Bonds5

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

2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136780059) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one
PubChem CID136780059
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NCCO)n1
InChIInChI=1S/C9H15N3O2/c1-2-3-7-6-8(14)12-9(11-7)10-4-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyFPYYYLZWVLVRSX-UHFFFAOYSA-N
XLogP0.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-(Methylamino)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135973622
2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
CID 135451986
2-(2-Hydroxyethylamino)-3,6-dimethylpyrimidin-4(3h)-one
CID 11615291
2-(2-Hydroxyethyl)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 12139398
2-[Bis(2-hydroxyethyl)amino]-6-methylpyrimidin-4(1h)-one
CID 135459400
2-Ethylamino-4-hydroxy-6-propylpyrimidine
CID 135773301
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid
CID 169040483
1-(2-hydroxyethyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 178623108
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one (CID 136780059) is 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(NCCO)n1.
What is the InChIKey of 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is FPYYYLZWVLVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-7-6-8(14)12-9(11-7)10-4-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14).
What are the key properties of 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one?
2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136780059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).