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

C22H26N4O2 — CID 112905183

IUPAC2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2ccnc(Nc3ccc(OC(C)C)cc3)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-15(2)27-19-9-5-17(6-10-19)24-21-13-14-23-22(26-21)25-18-7-11-20(12-8-18)28-16(3)4/h5-16H,1-4H3,(H2,23,24,25,26)
InChIKeyCWFOIJJUVXGBJF-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.54
Rot. Bonds8

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

2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112905183) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112905183
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2ccnc(Nc3ccc(OC(C)C)cc3)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-15(2)27-19-9-5-17(6-10-19)24-21-13-14-23-22(26-21)25-18-7-11-20(12-8-18)28-16(3)4/h5-16H,1-4H3,(H2,23,24,25,26)
InChIKeyCWFOIJJUVXGBJF-UHFFFAOYSA-N
XLogP5.54
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905191
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
2-N-(2,6-dichlorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905213
4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112883602
2-N-(3-chloro-4-methoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904306
4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905205
4-N-(2,4-dimethoxyphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905226
4-N-(2,3-dichlorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905254
methyl 2-[[4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112905194
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112888158
4-N-(4-chlorophenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112903764

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112905183) is 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CC(C)Oc1ccc(Nc2ccnc(Nc3ccc(OC(C)C)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is CWFOIJJUVXGBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)27-19-9-5-17(6-10-19)24-21-13-14-23-22(26-21)25-18-7-11-20(12-8-18)28-16(3)4/h5-16H,1-4H3,(H2,23,24,25,26).
What are the key properties of 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 378.48 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112905183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).