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

C15H19ClN4 — CID 80794560

IUPAC4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H19ClN4/c1-3-17-14-11(2)15(20-10-19-14)18-9-8-12-4-6-13(16)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyKYHQIDQECJDBRW-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.52
Rot. Bonds6

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

4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80794560) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80794560
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H19ClN4/c1-3-17-14-11(2)15(20-10-19-14)18-9-8-12-4-6-13(16)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyKYHQIDQECJDBRW-UHFFFAOYSA-N
XLogP3.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80826850
4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898704
N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994334
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine
CID 163344769
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535380
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80794560) is 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NCCc2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is KYHQIDQECJDBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-17-14-11(2)15(20-10-19-14)18-9-8-12-4-6-13(16)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80794560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).