4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C10H17N3O2 — CID 136956802

IUPAC4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(Nc1cc(=O)[nH]cn1)C(C)C
InChIInChI=1S/C10H17N3O2/c1-7(2)8(5-15-3)13-9-4-10(14)12-6-11-9/h4,6-8H,5H2,1-3H3,(H2,11,12,13,14)
InChIKeyKHMRNMKLJKIAKG-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds5

About 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956802) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956802
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(Nc1cc(=O)[nH]cn1)C(C)C
InChIInChI=1S/C10H17N3O2/c1-7(2)8(5-15-3)13-9-4-10(14)12-6-11-9/h4,6-8H,5H2,1-3H3,(H2,11,12,13,14)
InChIKeyKHMRNMKLJKIAKG-UHFFFAOYSA-N
XLogP0.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764980
4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805756
4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820297
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136824075
5-bromo-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824076
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824090
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136824091
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136824092
4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870574

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136956802) is 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is COCC(Nc1cc(=O)[nH]cn1)C(C)C.
What is the InChIKey of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is KHMRNMKLJKIAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)8(5-15-3)13-9-4-10(14)12-6-11-9/h4,6-8H,5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).