N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine

C15H18ClN3 — CID 91188969

IUPACN-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
SMILESCCc1ccc(CNc2ncnc(C)c2C)c(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-4-12-5-6-13(14(16)7-12)8-17-15-10(2)11(3)18-9-19-15/h5-7,9H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyMOQBTKNSXGTWLB-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.92
Rot. Bonds4

About N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine

N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 91188969) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
PubChem CID91188969
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
SMILESCCc1ccc(CNc2ncnc(C)c2C)c(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-4-12-5-6-13(14(16)7-12)8-17-15-10(2)11(3)18-9-19-15/h5-7,9H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyMOQBTKNSXGTWLB-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline
CID 123969663
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine
CID 90452854
5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 72884289
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 72872121
5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
CID 106900156
N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 52998617
6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine
CID 145499093

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine (CID 91188969) is N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine is CCc1ccc(CNc2ncnc(C)c2C)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine?
The InChIKey is MOQBTKNSXGTWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-4-12-5-6-13(14(16)7-12)8-17-15-10(2)11(3)18-9-19-15/h5-7,9H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine?
N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 91188969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).