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

C14H17ClN4 — CID 80765162

IUPAC4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H17ClN4/c1-3-16-13-10(2)14(19-9-18-13)17-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyHKYOVDBBZNYIMD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.48
Rot. Bonds5

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

4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80765162) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80765162
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H17ClN4/c1-3-16-13-10(2)14(19-9-18-13)17-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyHKYOVDBBZNYIMD-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794560
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
6-N-butyl-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19134877
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
4-N-[(4-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145582
4-N-[(4-chlorophenyl)methyl]-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22534610
4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150593
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80765162) is 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NCc2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is HKYOVDBBZNYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-3-16-13-10(2)14(19-9-18-13)17-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).