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

C25H26N6O — CID 155565097

IUPAC6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)nc(N)n1
InChIInChI=1S/C25H26N6O/c1-18(2)32-23-12-4-3-11-21(23)22-15-24(30-25(26)29-22)31(16-19-9-5-7-13-27-19)17-20-10-6-8-14-28-20/h3-15,18H,16-17H2,1-2H3,(H2,26,29,30)
InChIKeyYUDGAQFNCLUPQK-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.51
Rot. Bonds8

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

6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 155565097) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID155565097
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)nc(N)n1
InChIInChI=1S/C25H26N6O/c1-18(2)32-23-12-4-3-11-21(23)22-15-24(30-25(26)29-22)31(16-19-9-5-7-13-27-19)17-20-10-6-8-14-28-20/h3-15,18H,16-17H2,1-2H3,(H2,26,29,30)
InChIKeyYUDGAQFNCLUPQK-UHFFFAOYSA-N
XLogP4.51
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 155565097) is 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is CC(C)Oc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)nc(N)n1.
What is the InChIKey of 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YUDGAQFNCLUPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-18(2)32-23-12-4-3-11-21(23)22-15-24(30-25(26)29-22)31(16-19-9-5-7-13-27-19)17-20-10-6-8-14-28-20/h3-15,18H,16-17H2,1-2H3,(H2,26,29,30).
What are the key properties of 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 426.52 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155565097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).