2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one

C13H23N3O2 — CID 136817762

IUPAC2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(O)C(CC)CC)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-4-9(5-2)10(17)8-14-12-7-13(18)16-11(6-3)15-12/h7,9-10,17H,4-6,8H2,1-3H3,(H2,14,15,16,18)
InChIKeyKCBPMJABYZEDEM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.54
Rot. Bonds7

About 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136817762) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
PubChem CID136817762
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(O)C(CC)CC)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-4-9(5-2)10(17)8-14-12-7-13(18)16-11(6-3)15-12/h7,9-10,17H,4-6,8H2,1-3H3,(H2,14,15,16,18)
InChIKeyKCBPMJABYZEDEM-UHFFFAOYSA-N
XLogP1.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790779
4-[(3,3-difluoro-2-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136790790
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702379
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703824
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one (CID 136817762) is 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one is CCc1nc(NCC(O)C(CC)CC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KCBPMJABYZEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-9(5-2)10(17)8-14-12-7-13(18)16-11(6-3)15-12/h7,9-10,17H,4-6,8H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136817762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).