4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C21H24N4O2 — CID 134264948

IUPAC4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(CN)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-26-19-7-3-16(4-8-19)14-25(21-23-12-11-18(13-22)24-21)15-17-5-9-20(27-2)10-6-17/h3-12H,13-15,22H2,1-2H3
InChIKeyGJQMUXLXBPMVHN-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds8

About 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 134264948) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID134264948
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(CN)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-26-19-7-3-16(4-8-19)14-25(21-23-12-11-18(13-22)24-21)15-17-5-9-20(27-2)10-6-17/h3-12H,13-15,22H2,1-2H3
InChIKeyGJQMUXLXBPMVHN-UHFFFAOYSA-N
XLogP3.16
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate
CID 175409490
[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate
CID 175327963
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541718
4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 107541879
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 107541800
N-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 162374398
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
CID 60875696
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 134264948) is 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(CN)n2)cc1.
What is the InChIKey of 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is GJQMUXLXBPMVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-19-7-3-16(4-8-19)14-25(21-23-12-11-18(13-22)24-21)15-17-5-9-20(27-2)10-6-17/h3-12H,13-15,22H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 134264948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).