5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one

C10H18N4O2 — CID 136819388

IUPAC5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCCCC(C)(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-3-4-10(2,16)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyZCPMOZBRNFJKDP-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds5

About 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136819388) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136819388
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCCCC(C)(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-3-4-10(2,16)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyZCPMOZBRNFJKDP-UHFFFAOYSA-N
XLogP0.32
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one (CID 136819388) is 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one is CCCC(C)(O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZCPMOZBRNFJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-4-10(2,16)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136819388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).