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

C10H18N4O2 — CID 136849671

IUPAC5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CCO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-3-10(2,4-5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyHVGKCVUSDQHCQP-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds5

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

5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136849671) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136849671
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CCO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-3-10(2,4-5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyHVGKCVUSDQHCQP-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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Related Compounds

5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730463
5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757519
5-amino-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759212
5-amino-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817765
5-amino-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847965
5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847973
5-bromo-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849672
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849677
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136849678
5-chloro-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849679
5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857350
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136849671) is 5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is CCC(C)(CCO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is HVGKCVUSDQHCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-10(2,4-5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5,11H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)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-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136849671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).