5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one

C9H14ClN3O2 — CID 136971017

IUPAC5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(C)N(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-6(4-15-3)13(2)8-7(10)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyGEKGJGJURMFOKZ-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.89
Rot. Bonds4

About 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136971017) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136971017
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(C)N(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-6(4-15-3)13(2)8-7(10)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyGEKGJGJURMFOKZ-UHFFFAOYSA-N
XLogP0.89
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896832
5-chloro-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975764
5-chloro-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740468
5-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113616107
5,6-Dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582991
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 114583215
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325
5-chloro-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586380
5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676261
5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676272
5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
CID 114676501
5-chloro-2-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrimidin-6-one
CID 133663753

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one (CID 136971017) is 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one is COCC(C)N(C)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GEKGJGJURMFOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-6(4-15-3)13(2)8-7(10)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,11,12,14).
What are the key properties of 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 231.68 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).