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

C19H21N5O — CID 112893825

IUPAC4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2ccnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-25-17-4-2-15(3-5-17)8-12-21-18-9-13-22-19(24-18)23-14-16-6-10-20-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H2,21,22,23,24)
InChIKeyMNGRYOHQQLOOMW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.15
Rot. Bonds8

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

4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893825) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893825
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2ccnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-25-17-4-2-15(3-5-17)8-12-21-18-9-13-22-19(24-18)23-14-16-6-10-20-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H2,21,22,23,24)
InChIKeyMNGRYOHQQLOOMW-UHFFFAOYSA-N
XLogP3.15
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893824
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893834
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892529
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893666
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891782
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895350
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892411
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112893825) is 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is COc1ccc(CCNc2ccnc(NCc3ccncc3)n2)cc1.
What is the InChIKey of 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MNGRYOHQQLOOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-25-17-4-2-15(3-5-17)8-12-21-18-9-13-22-19(24-18)23-14-16-6-10-20-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 335.41 g/mol, XLogP of 3.15, 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]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).