N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H27ClN4 — CID 102995620

IUPACN'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCCc1nc(Cl)c(C)c(N(CC)CCCN(C)C)n1
InChIInChI=1S/C15H27ClN4/c1-6-9-13-17-14(16)12(3)15(18-13)20(7-2)11-8-10-19(4)5/h6-11H2,1-5H3
InChIKeyCJVCSRZFXIIKDK-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.17
Rot. Bonds8

About N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102995620) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102995620
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCCc1nc(Cl)c(C)c(N(CC)CCCN(C)C)n1
InChIInChI=1S/C15H27ClN4/c1-6-9-13-17-14(16)12(3)15(18-13)20(7-2)11-8-10-19(4)5/h6-11H2,1-5H3
InChIKeyCJVCSRZFXIIKDK-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970845
2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80972549
N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
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
N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995629
6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
CID 80977700
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
N'-(2-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995627
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865835
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80970815

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102995620) is N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCCc1nc(Cl)c(C)c(N(CC)CCCN(C)C)n1.
What is the InChIKey of N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is CJVCSRZFXIIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-6-9-13-17-14(16)12(3)15(18-13)20(7-2)11-8-10-19(4)5/h6-11H2,1-5H3.
What are the key properties of N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102995620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).