N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine

C16H21ClN4 — CID 115914819

IUPACN'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21ClN4/c1-20(2)10-7-11-21(3)15-12-14(17)18-16(19-15)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyVLRWENZLQRBCPI-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.18
Rot. Bonds6

About N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine

N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 115914819) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID115914819
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC NameN'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21ClN4/c1-20(2)10-7-11-21(3)15-12-14(17)18-16(19-15)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyVLRWENZLQRBCPI-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 115914818
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
N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
CID 59340739
N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701145
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]butanenitrile
CID 115914801
N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63698928
6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112879896
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
4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112880706

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine (CID 115914819) is N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is VLRWENZLQRBCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-20(2)10-7-11-21(3)15-12-14(17)18-16(19-15)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3.
What are the key properties of N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 304.82 g/mol, XLogP of 3.18, 6 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'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115914819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).