6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine

C15H18ClN3 — CID 64695768

IUPAC6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ccccc1CNc1ncnc(Cl)c1CC
InChIInChI=1S/C15H18ClN3/c1-3-11-7-5-6-8-12(11)9-17-15-13(4-2)14(16)18-10-19-15/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyLBRVIXNGXUAZIW-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.87
Rot. Bonds5

About 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine (PubChem CID 64695768) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
PubChem CID64695768
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ccccc1CNc1ncnc(Cl)c1CC
InChIInChI=1S/C15H18ClN3/c1-3-11-7-5-6-8-12(11)9-17-15-13(4-2)14(16)18-10-19-15/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyLBRVIXNGXUAZIW-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
CID 13075482
6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine
CID 112671803
N-(1,3-benzodioxol-4-ylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 106194190
6-chloro-5-ethyl-N-[(4-nitrophenyl)methyl]pyrimidin-4-amine
CID 106192647
4-chloro-6-[[2-(ethoxymethyl)phenyl]methylamino]pyrimidine-5-carbaldehyde
CID 106192866
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192856
N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 64693026
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574
6-chloro-5-ethyl-N-[2-(2-prop-2-enylphenoxy)ethyl]pyrimidin-4-amine
CID 13075485

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine (CID 64695768) is 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine is CCc1ccccc1CNc1ncnc(Cl)c1CC.
What is the InChIKey of 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is LBRVIXNGXUAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-11-7-5-6-8-12(11)9-17-15-13(4-2)14(16)18-10-19-15/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 64695768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).