2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide

C13H21ClN4O — CID 80939213

IUPAC2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCCc1nc(Cl)cc(N(CC)CC(=O)N(C)C)n1
InChIInChI=1S/C13H21ClN4O/c1-5-7-11-15-10(14)8-12(16-11)18(6-2)9-13(19)17(3)4/h8H,5-7,9H2,1-4H3
InChIKeyQFOBNXNKHVYFAX-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.00
Rot. Bonds6

About 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide

2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 80939213) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID80939213
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCCc1nc(Cl)cc(N(CC)CC(=O)N(C)C)n1
InChIInChI=1S/C13H21ClN4O/c1-5-7-11-15-10(14)8-12(16-11)18(6-2)9-13(19)17(3)4/h8H,5-7,9H2,1-4H3
InChIKeyQFOBNXNKHVYFAX-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 106767345
N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 80939645
2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 63587654
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80953303
6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80939424
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80938791
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 137015594
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide (CID 80939213) is 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide is CCCc1nc(Cl)cc(N(CC)CC(=O)N(C)C)n1.
What is the InChIKey of 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is QFOBNXNKHVYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-5-7-11-15-10(14)8-12(16-11)18(6-2)9-13(19)17(3)4/h8H,5-7,9H2,1-4H3.
What are the key properties of 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80939213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).