N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

C15H19ClN4 — CID 115914818

IUPACN'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19ClN4/c1-19(2)9-10-20(3)14-11-13(16)17-15(18-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyBBVRNTGUTJSYSS-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.79
Rot. Bonds5

About N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 115914818) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID115914818
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC NameN'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19ClN4/c1-19(2)9-10-20(3)14-11-13(16)17-15(18-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyBBVRNTGUTJSYSS-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 115914819
6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559630
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917420
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]butanenitrile
CID 115914801
N,N,N'-trimethyl-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
CID 56670000
N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
CID 59340739
6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 115914744
4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine
CID 112667760
N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63701006
4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112880706
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 115914818) is N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is BBVRNTGUTJSYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-19(2)9-10-20(3)14-11-13(16)17-15(18-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 290.80 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 115914818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).