4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine

C13H15ClN4 — CID 80784844

IUPAC4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccccc2Cl)ncn1
InChIInChI=1S/C13H15ClN4/c1-2-15-12-7-13(18-9-17-12)16-8-10-5-3-4-6-11(10)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyCBJFMSSBKIZCAN-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.17
Rot. Bonds5

About 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine

4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80784844) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80784844
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccccc2Cl)ncn1
InChIInChI=1S/C13H15ClN4/c1-2-15-12-7-13(18-9-17-12)16-8-10-5-3-4-6-11(10)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyCBJFMSSBKIZCAN-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112859886
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80785211
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80784846
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
N-[(2-chlorophenyl)methyl]pyrimidin-4-amine
CID 61253357
N-butyl-6-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109340028
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 115265694
4-N-[(2-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
4-N-[(2-chlorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933100

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine (CID 80784844) is 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NCc2ccccc2Cl)ncn1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is CBJFMSSBKIZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-15-12-7-13(18-9-17-12)16-8-10-5-3-4-6-11(10)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine?
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80784844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).