5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C15H27N3O2 — CID 136857354

IUPAC5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCC(C)(C)CCCO)c(=O)[nH]1
InChIInChI=1S/C15H27N3O2/c1-10(16-9-15(4,5)7-6-8-19)13-11(2)17-12(3)18-14(13)20/h10,16,19H,6-9H2,1-5H3,(H,17,18,20)
InChIKeyBYUPYOPJVJUKCL-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.84
Rot. Bonds7

About 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136857354) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136857354
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCC(C)(C)CCCO)c(=O)[nH]1
InChIInChI=1S/C15H27N3O2/c1-10(16-9-15(4,5)7-6-8-19)13-11(2)17-12(3)18-14(13)20/h10,16,19H,6-9H2,1-5H3,(H,17,18,20)
InChIKeyBYUPYOPJVJUKCL-UHFFFAOYSA-N
XLogP1.84
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136857354) is 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCC(C)(C)CCCO)c(=O)[nH]1.
What is the InChIKey of 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is BYUPYOPJVJUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(16-9-15(4,5)7-6-8-19)13-11(2)17-12(3)18-14(13)20/h10,16,19H,6-9H2,1-5H3,(H,17,18,20).
What are the key properties of 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 281.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136857354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).