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

C11H19N3O2 — CID 136956800

IUPAC4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(Nc1cc(=O)[nH]c(C)n1)C(C)C
InChIInChI=1S/C11H19N3O2/c1-7(2)9(6-16-4)14-10-5-11(15)13-8(3)12-10/h5,7,9H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyQOGJVEPPMOTGTR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.16
Rot. Bonds5

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

4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956800) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956800
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(Nc1cc(=O)[nH]c(C)n1)C(C)C
InChIInChI=1S/C11H19N3O2/c1-7(2)9(6-16-4)14-10-5-11(15)13-8(3)12-10/h5,7,9H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyQOGJVEPPMOTGTR-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241885
2-propan-2-yl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604863
2-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604868
4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586300
4-[2-(ethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586329
2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586382
2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586383
2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586387
4-(2-but-3-enoxyethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136690722
4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136696643

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136956800) is 4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is COCC(Nc1cc(=O)[nH]c(C)n1)C(C)C.
What is the InChIKey of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QOGJVEPPMOTGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)9(6-16-4)14-10-5-11(15)13-8(3)12-10/h5,7,9H,6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.16, 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]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).