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

C10H17N3O2 — CID 63553559

IUPAC2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(N)C(C)(C)C)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-5-8(14)12-7(13-9(5)15)6(11)10(2,3)4/h6H,11H2,1-4H3,(H2,12,13,14,15)
InChIKeyKZNMEUKUMYVZIY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.83
Rot. Bonds1

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

2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63553559) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63553559
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(N)C(C)(C)C)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-5-8(14)12-7(13-9(5)15)6(11)10(2,3)4/h6H,11H2,1-4H3,(H2,12,13,14,15)
InChIKeyKZNMEUKUMYVZIY-UHFFFAOYSA-N
XLogP0.83
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.83
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-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63553559) is 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(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-methyl-1H-pyrimidin-6-one?
The InChIKey is KZNMEUKUMYVZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-8(14)12-7(13-9(5)15)6(11)10(2,3)4/h6H,11H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.83, 1 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63553559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).