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

C14H17ClN4 — CID 82460895

IUPACN-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2)nc(Cl)n1
InChIInChI=1S/C14H17ClN4/c1-19(2)9-8-16-13-10-12(17-14(15)18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyYOLXGJNZGFDZOT-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.77
Rot. Bonds5

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

N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 82460895) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID82460895
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2)nc(Cl)n1
InChIInChI=1S/C14H17ClN4/c1-19(2)9-8-16-13-10-12(17-14(15)18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyYOLXGJNZGFDZOT-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935858
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935861
4-N-[2-(dimethylamino)ethyl]-2-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935842
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112935791
N',N'-dimethyl-N-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 4667934
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
4-N-[2-(dimethylamino)ethyl]-2-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935869
6-N-[2-(dimethylamino)ethyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112880717
2-N-(3-chloro-4-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112936136
4-N-[3-(dimethylamino)propyl]-2-N-(4-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936129

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 82460895) is N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(-c2ccccc2)nc(Cl)n1.
What is the InChIKey of N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YOLXGJNZGFDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-19(2)9-8-16-13-10-12(17-14(15)18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 276.77 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82460895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).