6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine

C16H28ClN3 — CID 80970845

IUPAC6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(CC)CC(CC)CC)n1
InChIInChI=1S/C16H28ClN3/c1-6-10-14-18-15(17)12(5)16(19-14)20(9-4)11-13(7-2)8-3/h13H,6-11H2,1-5H3
InChIKeyQWHAXHXKQDZTBS-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.65
Rot. Bonds8

About 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80970845) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80970845
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(CC)CC(CC)CC)n1
InChIInChI=1S/C16H28ClN3/c1-6-10-14-18-15(17)12(5)16(19-14)20(9-4)11-13(7-2)8-3/h13H,6-11H2,1-5H3
InChIKeyQWHAXHXKQDZTBS-UHFFFAOYSA-N
XLogP4.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103666
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107482089
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972379
2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80972549
6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80970871
4-N,6-N-diethyl-5-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80993891
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80979560
2-cyclopropyl-4-N-ethyl-4-N-(2-ethylbutyl)-5-methylpyrimidine-4,6-diamine
CID 80987255
N-ethyl-6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80995591

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80970845) is 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(N(CC)CC(CC)CC)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is QWHAXHXKQDZTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-6-10-14-18-15(17)12(5)16(19-14)20(9-4)11-13(7-2)8-3/h13H,6-11H2,1-5H3.
What are the key properties of 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 297.87 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80970845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).