5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine

C15H19ClN4 — CID 83186254

IUPAC5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C(C)c2ccccc2Cl)ncc1CN
InChIInChI=1S/C15H19ClN4/c1-10-12(8-17)9-18-15(19-10)20(3)11(2)13-6-4-5-7-14(13)16/h4-7,9,11H,8,17H2,1-3H3
InChIKeyDETFVAIFGHUMAG-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.09
Rot. Bonds4

About 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine

5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 83186254) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID83186254
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C(C)c2ccccc2Cl)ncc1CN
InChIInChI=1S/C15H19ClN4/c1-10-12(8-17)9-18-15(19-10)20(3)11(2)13-6-4-5-7-14(13)16/h4-7,9,11H,8,17H2,1-3H3
InChIKeyDETFVAIFGHUMAG-UHFFFAOYSA-N
XLogP3.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N,4-dimethyl-N-propan-2-ylpyrimidin-2-amine
CID 83185143
5-(aminomethyl)-N,4-dimethyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
CID 83186214
5-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrimidin-2-amine
CID 113387953
[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83184020
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 107926195
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185816
5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83184319
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 80824315
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine (CID 83186254) is 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine is Cc1nc(N(C)C(C)c2ccccc2Cl)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is DETFVAIFGHUMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-10-12(8-17)9-18-15(19-10)20(3)11(2)13-6-4-5-7-14(13)16/h4-7,9,11H,8,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine?
5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 290.80 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83186254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).