4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H19N3O3 — CID 136870591

IUPAC4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)(C)C(C)(C)O)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-10(2,11(3,4)16)14-8-7(17-5)9(15)13-6-12-8/h6,16H,1-5H3,(H2,12,13,14,15)
InChIKeyZMSOYSZEZFTXSH-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds4

About 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136870591) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136870591
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)(C)C(C)(C)O)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-10(2,11(3,4)16)14-8-7(17-5)9(15)13-6-12-8/h6,16H,1-5H3,(H2,12,13,14,15)
InChIKeyZMSOYSZEZFTXSH-UHFFFAOYSA-N
XLogP0.74
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671885
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
4-[(2-hydroxy-2-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136819386
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849670
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136857367
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864249
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136866837
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870597
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870598
4-(2-cyclopropylpropan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136870773
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136938548
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136870591) is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(C)(C)C(C)(C)O)nc[nH]c1=O.
What is the InChIKey of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ZMSOYSZEZFTXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-10(2,11(3,4)16)14-8-7(17-5)9(15)13-6-12-8/h6,16H,1-5H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136870591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).