2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C24H23N5O2 — CID 44525757

IUPAC2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCc3cccnc3)cc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-30-20-9-5-18(6-10-20)22-14-23(26-16-17-4-3-13-25-15-17)29-24(28-22)27-19-7-11-21(31-2)12-8-19/h3-15H,16H2,1-2H3,(H2,26,27,28,29)
InChIKeyRVVQYHPQSWORBW-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.91
Rot. Bonds8

About 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 44525757) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID44525757
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCc3cccnc3)cc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-30-20-9-5-18(6-10-20)22-14-23(26-16-17-4-3-13-25-15-17)29-24(28-22)27-19-7-11-21(31-2)12-8-19/h3-15H,16H2,1-2H3,(H2,26,27,28,29)
InChIKeyRVVQYHPQSWORBW-UHFFFAOYSA-N
XLogP4.91
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 44525757) is 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(NCc3cccnc3)cc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is RVVQYHPQSWORBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-30-20-9-5-18(6-10-20)22-14-23(26-16-17-4-3-13-25-15-17)29-24(28-22)27-19-7-11-21(31-2)12-8-19/h3-15H,16H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 413.48 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-bis(4-methoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44525757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).