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

C10H14ClN3O2 — CID 114582086

IUPACN-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-3-7(2)13-9(15)5-14-6-12-8(11)4-10(14)16/h4,6-7H,3,5H2,1-2H3,(H,13,15)
InChIKeyJXGYQHWIGJRUDB-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.81
Rot. Bonds4

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

N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114582086) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide
PubChem CID114582086
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC NameN-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-3-7(2)13-9(15)5-14-6-12-8(11)4-10(14)16/h4,6-7H,3,5H2,1-2H3,(H,13,15)
InChIKeyJXGYQHWIGJRUDB-UHFFFAOYSA-N
XLogP0.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582323
4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
CID 143220714
N-(1-methyl-6-oxopyrimidin-5-yl)propanamide
CID 170387111
N-butan-2-yl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999736
N-cyclopropyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534907
6-Methyl-3-[2-(methylamino)propyl]pyrimidin-4-one
CID 61753087
3-[2-(Methylamino)propyl]pyrimidin-4-one
CID 63767943
3-[2-(Ethylamino)propyl]pyrimidin-4-one
CID 63768483
3-[2-(Propylamino)propyl]pyrimidin-4-one
CID 63769519
3-[2-(Methylamino)butyl]pyrimidin-4-one
CID 63769699
3-[2-(Butan-2-ylamino)ethyl]pyrimidin-4-one
CID 63795792
N-butan-2-yl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308230

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide (CID 114582086) is N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide is CCC(C)NC(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is JXGYQHWIGJRUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-7(2)13-9(15)5-14-6-12-8(11)4-10(14)16/h4,6-7H,3,5H2,1-2H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide?
N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 243.69 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114582086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).