2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C12H21N3O2 — CID 63556056

IUPAC2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(N)C(C)(C)C)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-5-6-7-10(16)14-9(15-11(7)17)8(13)12(2,3)4/h8H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyVIPROYWNHMVXLQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.47
Rot. Bonds3

About 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63556056) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63556056
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(N)C(C)(C)C)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-5-6-7-10(16)14-9(15-11(7)17)8(13)12(2,3)4/h8H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyVIPROYWNHMVXLQ-UHFFFAOYSA-N
XLogP1.47
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63556056) is 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C(N)C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is VIPROYWNHMVXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-7-10(16)14-9(15-11(7)17)8(13)12(2,3)4/h8H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63556056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).