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

C14H25N3O2 — CID 136817766

IUPAC4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(CC)C(O)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-5-10(6-2)11(18)8-15-12-7-13(19)17-14(16-12)9(3)4/h7,9-11,18H,5-6,8H2,1-4H3,(H2,15,16,17,19)
InChIKeyRYXVERIZASBEAN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.10
Rot. Bonds7

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

4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136817766) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136817766
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(CC)C(O)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-5-10(6-2)11(18)8-15-12-7-13(19)17-14(16-12)9(3)4/h7,9-11,18H,5-6,8H2,1-4H3,(H2,15,16,17,19)
InChIKeyRYXVERIZASBEAN-UHFFFAOYSA-N
XLogP2.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.10
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 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136817766) is 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CCC(CC)C(O)CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RYXVERIZASBEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-10(6-2)11(18)8-15-12-7-13(19)17-14(16-12)9(3)4/h7,9-11,18H,5-6,8H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136817766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).