5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide

C14H21ClN4O2 — CID 103824573

IUPAC5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-8(2)11-17-6-9(15)10(19-11)12(20)18-7-14(3,4)13(21)16-5/h6,8H,7H2,1-5H3,(H,16,21)(H,18,20)
InChIKeySDBNQZNEAKKHHY-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.76
Rot. Bonds5

About 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 103824573) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID103824573
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-8(2)11-17-6-9(15)10(19-11)12(20)18-7-14(3,4)13(21)16-5/h6,8H,7H2,1-5H3,(H,16,21)(H,18,20)
InChIKeySDBNQZNEAKKHHY-UHFFFAOYSA-N
XLogP1.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103770528
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119521608
6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106280199
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62517983

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 103824573) is 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide is CNC(=O)C(C)(C)CNC(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is SDBNQZNEAKKHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-8(2)11-17-6-9(15)10(19-11)12(20)18-7-14(3,4)13(21)16-5/h6,8H,7H2,1-5H3,(H,16,21)(H,18,20).
What are the key properties of 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 103824573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).