5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

C11H19N3O2 — CID 136757518

IUPAC5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O2/c1-5-11(3,6-2)14-9-8(16-4)10(15)13-7-12-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeySULUYNHQZGGEFY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.77
Rot. Bonds5

About 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136757518) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136757518
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O2/c1-5-11(3,6-2)14-9-8(16-4)10(15)13-7-12-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeySULUYNHQZGGEFY-UHFFFAOYSA-N
XLogP1.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736698
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586456
4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586480
4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586489
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671885
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (CID 136757518) is 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is CCC(C)(CC)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is SULUYNHQZGGEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-11(3,6-2)14-9-8(16-4)10(15)13-7-12-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136757518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).