4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C24H23N5O — CID 112937448

IUPAC4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2ccncc2)n1
InChIInChI=1S/C24H23N5O/c1-2-30-22-11-7-6-10-20(22)27-23-16-21(19-8-4-3-5-9-19)28-24(29-23)26-17-18-12-14-25-15-13-18/h3-16H,2,17H2,1H3,(H2,26,27,28,29)
InChIKeyQGODFKRAFKEFTC-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.29
Rot. Bonds8

About 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112937448) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112937448
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2ccncc2)n1
InChIInChI=1S/C24H23N5O/c1-2-30-22-11-7-6-10-20(22)27-23-16-21(19-8-4-3-5-9-19)28-24(29-23)26-17-18-12-14-25-15-13-18/h3-16H,2,17H2,1H3,(H2,26,27,28,29)
InChIKeyQGODFKRAFKEFTC-UHFFFAOYSA-N
XLogP5.29
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935986
4-N-[2-(dimethylamino)ethyl]-2-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935869
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924439
4-N-(2-ethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892594
4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937314
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908782
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
4-N-(2-chlorophenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937321
ethyl 2-[[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112920021
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
3-N-[(4-chlorophenyl)methyl]-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112950686
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112937448) is 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CCOc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2ccncc2)n1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is QGODFKRAFKEFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-2-30-22-11-7-6-10-20(22)27-23-16-21(19-8-4-3-5-9-19)28-24(29-23)26-17-18-12-14-25-15-13-18/h3-16H,2,17H2,1H3,(H2,26,27,28,29).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 397.48 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112937448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).