2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

C15H18ClN3 — CID 62192554

IUPAC2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(Cl)c2)nc(C)c1C
InChIInChI=1S/C15H18ClN3/c1-4-17-15-10(2)11(3)18-14(19-15)9-12-6-5-7-13(16)8-12/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyHVQBNWAOKRAASJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.77
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 62192554) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID62192554
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(Cl)c2)nc(C)c1C
InChIInChI=1S/C15H18ClN3/c1-4-17-15-10(2)11(3)18-14(19-15)9-12-6-5-7-13(16)8-12/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyHVQBNWAOKRAASJ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63485964
4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80985283
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
2-[(3-chlorophenyl)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66299752
[5,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-yl]hydrazine
CID 62250158
2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63562496
2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62830547
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320406
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63486136

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 62192554) is 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(Cc2cccc(Cl)c2)nc(C)c1C.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is HVQBNWAOKRAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-4-17-15-10(2)11(3)18-14(19-15)9-12-6-5-7-13(16)8-12/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62192554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).