4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 136956777

IUPAC4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCC(COC)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-4-8(6-15-3)13-9-5-10(14)12-7(2)11-9/h5,8H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyLEVRHKNTMZLAOV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.92
Rot. Bonds5

About 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956777) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956777
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCC(COC)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-4-8(6-15-3)13-9-5-10(14)12-7(2)11-9/h5,8H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyLEVRHKNTMZLAOV-UHFFFAOYSA-N
XLogP0.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136896828
4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956679
2-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975762
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-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167804464
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241879
4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241880
2-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604868

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956777) is 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is CCC(COC)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LEVRHKNTMZLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8(6-15-3)13-9-5-10(14)12-7(2)11-9/h5,8H,4,6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).