2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide

C14H21ClN4O — CID 80971414

IUPAC2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H21ClN4O/c1-3-4-7-19(8-11(16)20)14-9(2)12(15)17-13(18-14)10-5-6-10/h10H,3-8H2,1-2H3,(H2,16,20)
InChIKeyWMWXQVBWWYKCGY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.41
Rot. Bonds7

About 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide

2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide (PubChem CID 80971414) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide
PubChem CID80971414
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H21ClN4O/c1-3-4-7-19(8-11(16)20)14-9(2)12(15)17-13(18-14)10-5-6-10/h10H,3-8H2,1-2H3,(H2,16,20)
InChIKeyWMWXQVBWWYKCGY-UHFFFAOYSA-N
XLogP2.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80973601
2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80972549
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 80980363
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103666
2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80982412
4-N-butyl-2-cyclopropyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976584
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917456
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80971413
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-butylamino]acetamide
CID 114995054
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80973741

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide (CID 80971414) is 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide is CCCCN(CC(N)=O)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide?
The InChIKey is WMWXQVBWWYKCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-3-4-7-19(8-11(16)20)14-9(2)12(15)17-13(18-14)10-5-6-10/h10H,3-8H2,1-2H3,(H2,16,20).
What are the key properties of 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide?
2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 80971414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).