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

C13H23ClN4 — CID 102995636

IUPACN'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCc1c(Cl)ncnc1N(CC)CCCN(C)C
InChIInChI=1S/C13H23ClN4/c1-5-11-12(14)15-10-16-13(11)18(6-2)9-7-8-17(3)4/h10H,5-9H2,1-4H3
InChIKeyCJBXNRXUHDQSTQ-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.47
Rot. Bonds7

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

N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102995636) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102995636
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCc1c(Cl)ncnc1N(CC)CCCN(C)C
InChIInChI=1S/C13H23ClN4/c1-5-11-12(14)15-10-16-13(11)18(6-2)9-7-8-17(3)4/h10H,5-9H2,1-4H3
InChIKeyCJBXNRXUHDQSTQ-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63735068
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
CID 80754266
6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
CID 63728063
N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995629
N'-(2-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995627
N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995593
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 63728486
N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 63730431
N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
CID 62101508

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102995636) is N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCc1c(Cl)ncnc1N(CC)CCCN(C)C.
What is the InChIKey of N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is CJBXNRXUHDQSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-5-11-12(14)15-10-16-13(11)18(6-2)9-7-8-17(3)4/h10H,5-9H2,1-4H3.
What are the key properties of N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 270.81 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102995636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).