4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one

C8H13N3O2 — CID 136955941

IUPAC4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCOCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-6(4-13-2)11-7-3-8(12)10-5-9-7/h3,5-6H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyDLMVPLNAKUFALR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.22
Rot. Bonds4

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

4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136955941) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136955941
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCOCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-6(4-13-2)11-7-3-8(12)10-5-9-7/h3,5-6H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyDLMVPLNAKUFALR-UHFFFAOYSA-N
XLogP0.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Morpholinopyrimidin-4-ol
CID 136128233
6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896834
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956681
2-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136473820
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137138532
2-(1,3-Dimethoxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 140038026
Ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
3-Methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237700
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241383
4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113792798

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one (CID 136955941) is 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one is COCC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is DLMVPLNAKUFALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(4-13-2)11-7-3-8(12)10-5-9-7/h3,5-6H,4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one?
4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).