2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

C10H14ClN3O3 — CID 114582360

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O3/c1-7(5-17-2)13-9(15)4-14-6-12-8(11)3-10(14)16/h3,6-7H,4-5H2,1-2H3,(H,13,15)
InChIKeyJWJSKRYYBUKHIK-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.05
Rot. Bonds5

About 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 114582360) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID114582360
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O3/c1-7(5-17-2)13-9(15)4-14-6-12-8(11)3-10(14)16/h3,6-7H,4-5H2,1-2H3,(H,13,15)
InChIKeyJWJSKRYYBUKHIK-UHFFFAOYSA-N
XLogP0.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-Dimethoxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 140038027
3-[2-(1-Methoxypropan-2-ylamino)ethyl]-6-methylpyrimidin-4-one
CID 62563257
3-[2-(1-Methoxypropan-2-ylamino)ethyl]pyrimidin-4-one
CID 63794384
3-[2-(2-Methoxyethylamino)ethyl]pyrimidin-4-one
CID 63795261
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 66310351
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 79375276
N-(2-methoxyethyl)-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375514
5-Amino-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455821
3-[3-Methoxy-2-(methylamino)propyl]pyrimidin-4-one
CID 107506246
3-[2-(Ethylamino)-3-methoxypropyl]pyrimidin-4-one
CID 107506247
3-[3-Methoxy-2-(propylamino)propyl]pyrimidin-4-one
CID 107506249
6-Chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604227

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 114582360) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is JWJSKRYYBUKHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-7(5-17-2)13-9(15)4-14-6-12-8(11)3-10(14)16/h3,6-7H,4-5H2,1-2H3,(H,13,15).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 259.69 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 114582360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).