4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine

C16H21ClN4 — CID 80777604

IUPAC4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)Cc2ccccc2Cl)c1C
InChIInChI=1S/C16H21ClN4/c1-5-18-15-11(2)16(20-12(3)19-15)21(4)10-13-8-6-7-9-14(13)17/h6-9H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyYVAPPGFWJKHLCK-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.82
Rot. Bonds5

About 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80777604) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80777604
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)Cc2ccccc2Cl)c1C
InChIInChI=1S/C16H21ClN4/c1-5-18-15-11(2)16(20-12(3)19-15)21(4)10-13-8-6-7-9-14(13)17/h6-9H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyYVAPPGFWJKHLCK-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80979316
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80749797
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80794454
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80780316
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80783110
6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80836692
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80757142
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80816769
1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726880
5-chloro-6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62892052

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80777604) is 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(N(C)Cc2ccccc2Cl)c1C.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is YVAPPGFWJKHLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-5-18-15-11(2)16(20-12(3)19-15)21(4)10-13-8-6-7-9-14(13)17/h6-9H,5,10H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 304.82 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80777604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).