4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one

C10H17N3O4 — CID 136938548

IUPAC4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CO)(CO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O4/c1-3-10(4-14,5-15)13-8-7(17-2)9(16)12-6-11-8/h6,14-15H,3-5H2,1-2H3,(H2,11,12,13,16)
InChIKeyQVWLHKFZPYYBTF-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.68
Rot. Bonds6

About 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one

4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136938548) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136938548
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CO)(CO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O4/c1-3-10(4-14,5-15)13-8-7(17-2)9(16)12-6-11-8/h6,14-15H,3-5H2,1-2H3,(H2,11,12,13,16)
InChIKeyQVWLHKFZPYYBTF-UHFFFAOYSA-N
XLogP-0.68
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586489
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847964
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847972
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849670
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]-5-methoxy-1H-pyrimidin-6-one
CID 136870591

Frequently Asked Questions

What is the IUPAC name of 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one (CID 136938548) is 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one is CCC(CO)(CO)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QVWLHKFZPYYBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-10(4-14,5-15)13-8-7(17-2)9(16)12-6-11-8/h6,14-15H,3-5H2,1-2H3,(H2,11,12,13,16).
What are the key properties of 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one?
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 243.26 g/mol, XLogP of -0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136938548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).