5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one

C11H20N4O2 — CID 136847973

IUPAC5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)C(CCO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H20N4O2/c1-11(2,3)7(4-5-16)15-9-8(12)10(17)14-6-13-9/h6-7,16H,4-5,12H2,1-3H3,(H2,13,14,15,17)
InChIKeyRPJQXDTWZGQFDG-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.56
Rot. Bonds4

About 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136847973) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136847973
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)C(CCO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H20N4O2/c1-11(2,3)7(4-5-16)15-9-8(12)10(17)14-6-13-9/h6-7,16H,4-5,12H2,1-3H3,(H2,13,14,15,17)
InChIKeyRPJQXDTWZGQFDG-UHFFFAOYSA-N
XLogP0.56
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136847973) is 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one is CC(C)(C)C(CCO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is RPJQXDTWZGQFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)7(4-5-16)15-9-8(12)10(17)14-6-13-9/h6-7,16H,4-5,12H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136847973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).