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

C10H18N4O2 — CID 136703841

IUPAC5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-6(2)3-7(15)4-12-9-8(11)10(16)14-5-13-9/h5-7,15H,3-4,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyBVBOWDKIAQYOOW-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.17
Rot. Bonds5

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

5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136703841) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136703841
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-6(2)3-7(15)4-12-9-8(11)10(16)14-5-13-9/h5-7,15H,3-4,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyBVBOWDKIAQYOOW-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136912678
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
3-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-5-methylhexanoic acid
CID 136959119
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136961736
1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151118
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679983
5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one
CID 136974646

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one (CID 136703841) is 5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one is CC(C)CC(O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is BVBOWDKIAQYOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)3-7(15)4-12-9-8(11)10(16)14-5-13-9/h5-7,15H,3-4,11H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.17, 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-4-methylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136703841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).