2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one

C10H17N3O2 — CID 136979820

IUPAC2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C(C)CO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-8-11-9(5-10(15)12-8)13(3)7(2)6-14/h5,7,14H,4,6H2,1-3H3,(H,11,12,15)
InChIKeyNOPGPOOKMRRBLC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.15
Rot. Bonds4

About 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136979820) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136979820
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C(C)CO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-8-11-9(5-10(15)12-8)13(3)7(2)6-14/h5,7,14H,4,6H2,1-3H3,(H,11,12,15)
InChIKeyNOPGPOOKMRRBLC-UHFFFAOYSA-N
XLogP0.15
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanethioamide
CID 136973145
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
4-(2,3-dihydroxypropylsulfanyl)-2-ethyl-1H-pyrimidin-6-one
CID 114578951
2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949432
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009852
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958573

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one (CID 136979820) is 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one is CCc1nc(N(C)C(C)CO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NOPGPOOKMRRBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8-11-9(5-10(15)12-8)13(3)7(2)6-14/h5,7,14H,4,6H2,1-3H3,(H,11,12,15).
What are the key properties of 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).