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

C24H24N6O2 — CID 155548061

IUPAC6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)nc(N)n2)c(OC)c1
InChIInChI=1S/C24H24N6O2/c1-31-19-9-10-20(22(13-19)32-2)21-14-23(29-24(25)28-21)30(15-17-7-3-5-11-26-17)16-18-8-4-6-12-27-18/h3-14H,15-16H2,1-2H3,(H2,25,28,29)
InChIKeyGIQJYKIVNCJJPN-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.74
Rot. Bonds8

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

6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 155548061) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID155548061
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)nc(N)n2)c(OC)c1
InChIInChI=1S/C24H24N6O2/c1-31-19-9-10-20(22(13-19)32-2)21-14-23(29-24(25)28-21)30(15-17-7-3-5-11-26-17)16-18-8-4-6-12-27-18/h3-14H,15-16H2,1-2H3,(H2,25,28,29)
InChIKeyGIQJYKIVNCJJPN-UHFFFAOYSA-N
XLogP3.74
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 57149549
CID 57149549
CID 5330130
CID 5330130
CID 447022
CID 447022
CID 447229
CID 447229
CID 21850055
CID 21850055
CID 5330125
CID 5330125
CID 5330127
CID 5330127
CID 5329421
CID 5329421
CID 5330131
CID 5330131
CID 15550318
CID 15550318
CID 118753247
CID 118753247
CID 5328996
CID 5328996

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 155548061) is 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is COc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)nc(N)n2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is GIQJYKIVNCJJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-31-19-9-10-20(22(13-19)32-2)21-14-23(29-24(25)28-21)30(15-17-7-3-5-11-26-17)16-18-8-4-6-12-27-18/h3-14H,15-16H2,1-2H3,(H2,25,28,29).
What are the key properties of 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 428.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155548061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).