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

C10H17N3O3 — CID 136976318

IUPAC4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(CO)C(C)C)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-6(2)7(4-14)13-9-8(16-3)10(15)12-5-11-9/h5-7,14H,4H2,1-3H3,(H2,11,12,13,15)
InChIKeyMCBPZQFABNQDBZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.21
Rot. Bonds5

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

4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136976318) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136976318
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(CO)C(C)C)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-6(2)7(4-14)13-9-8(16-3)10(15)12-5-11-9/h5-7,14H,4H2,1-3H3,(H2,11,12,13,15)
InChIKeyMCBPZQFABNQDBZ-UHFFFAOYSA-N
XLogP0.21
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136976318) is 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(CO)C(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is MCBPZQFABNQDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(2)7(4-14)13-9-8(16-3)10(15)12-5-11-9/h5-7,14H,4H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136976318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).