4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one

C10H17N3O3 — CID 136864252

IUPAC4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O3/c1-10(15,3-4-16-2)6-11-8-5-9(14)13-7-12-8/h5,7,15H,3-4,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyWRXFTVJAMKBIRX-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.03
Rot. Bonds6

About 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one

4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136864252) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136864252
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O3/c1-10(15,3-4-16-2)6-11-8-5-9(14)13-7-12-8/h5,7,15H,3-4,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyWRXFTVJAMKBIRX-UHFFFAOYSA-N
XLogP-0.03
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675559
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817758
4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857355
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136864248
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864249
2-ethyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864250
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136864251

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one (CID 136864252) is 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one is COCCC(C)(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WRXFTVJAMKBIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(15,3-4-16-2)6-11-8-5-9(14)13-7-12-8/h5,7,15H,3-4,6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).