4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

C22H21N5O — CID 112905125

IUPAC4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCC(C)Oc1ccccc1Nc1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H21N5O/c1-15(2)28-19-11-4-3-9-17(19)25-20-12-14-24-22(27-20)26-18-10-5-7-16-8-6-13-23-21(16)18/h3-15H,1-2H3,(H2,24,25,26,27)
InChIKeyHDEBEYDBRSEJMS-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.30
Rot. Bonds6

About 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112905125) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112905125
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCC(C)Oc1ccccc1Nc1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H21N5O/c1-15(2)28-19-11-4-3-9-17(19)25-20-12-14-24-22(27-20)26-18-10-5-7-16-8-6-13-23-21(16)18/h3-15H,1-2H3,(H2,24,25,26,27)
InChIKeyHDEBEYDBRSEJMS-UHFFFAOYSA-N
XLogP5.30
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046
3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967833
4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905205
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112903339
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112890645
4-N-(4-chlorophenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112903764
4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881959
4-N-(3-methoxyphenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904627
2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905143

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112905125) is 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is CC(C)Oc1ccccc1Nc1ccnc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is HDEBEYDBRSEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15(2)28-19-11-4-3-9-17(19)25-20-12-14-24-22(27-20)26-18-10-5-7-16-8-6-13-23-21(16)18/h3-15H,1-2H3,(H2,24,25,26,27).
What are the key properties of 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 371.44 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112905125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).