5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine

C12H12Cl2N4O — CID 10149532

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)c(CN)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H12Cl2N4O/c1-19-12-17-10(8(5-15)11(16)18-12)7-3-2-6(13)4-9(7)14/h2-4H,5,15H2,1H3,(H2,16,17,18)
InChIKeyJWBDDXLIGUBGSF-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.50
Rot. Bonds3

About 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine (PubChem CID 10149532) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
PubChem CID10149532
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)c(CN)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H12Cl2N4O/c1-19-12-17-10(8(5-15)11(16)18-12)7-3-2-6(13)4-9(7)14/h2-4H,5,15H2,1H3,(H2,16,17,18)
InChIKeyJWBDDXLIGUBGSF-UHFFFAOYSA-N
XLogP2.50
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
CID 141399848
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine
CID 10237546
6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine
CID 22372155
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10237877
3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
CID 10215103
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine
CID 69347292
6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106517961
3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine
CID 10287493
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine
CID 90718314

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine (CID 10149532) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine is COc1nc(N)c(CN)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine?
The InChIKey is JWBDDXLIGUBGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-19-12-17-10(8(5-15)11(16)18-12)7-3-2-6(13)4-9(7)14/h2-4H,5,15H2,1H3,(H2,16,17,18).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine has a molecular weight of 299.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 10149532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).