4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C20H23N5O — CID 112919258

IUPAC4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2cc(C)nc(NCc3ccccn3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-15-13-19(22-12-10-16-6-8-18(26-2)9-7-16)25-20(24-15)23-14-17-5-3-4-11-21-17/h3-9,11,13H,10,12,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyXSWPMLTXHCHYGD-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.46
Rot. Bonds8

About 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919258) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919258
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2cc(C)nc(NCc3ccccn3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-15-13-19(22-12-10-16-6-8-18(26-2)9-7-16)25-20(24-15)23-14-17-5-3-4-11-21-17/h3-9,11,13H,10,12,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyXSWPMLTXHCHYGD-UHFFFAOYSA-N
XLogP3.46
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919252
2-N-(4-methoxyphenyl)-6-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 117083512
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917867
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916769
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917972
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370720
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112919258) is 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is COc1ccc(CCNc2cc(C)nc(NCc3ccccn3)n2)cc1.
What is the InChIKey of 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is XSWPMLTXHCHYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-13-19(22-12-10-16-6-8-18(26-2)9-7-16)25-20(24-15)23-14-17-5-3-4-11-21-17/h3-9,11,13H,10,12,14H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 349.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).