2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C12H21N3O2 — CID 55221125

IUPAC2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(N)(CC)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-5-12(13,6-2)11-14-9(16)8(7(3)4)10(17)15-11/h7H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyXRIMLZQQSHGJJY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.57
Rot. Bonds4

About 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 55221125) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID55221125
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(N)(CC)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-5-12(13,6-2)11-14-9(16)8(7(3)4)10(17)15-11/h7H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyXRIMLZQQSHGJJY-UHFFFAOYSA-N
XLogP1.57
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 55221125) is 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CCC(N)(CC)c1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XRIMLZQQSHGJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-12(13,6-2)11-14-9(16)8(7(3)4)10(17)15-11/h7H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 55221125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).