2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C22H24N4O — CID 112933194

IUPAC2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)27-19-12-10-17(11-13-19)23-21-14-20(16-6-4-3-5-7-16)25-22(26-21)24-18-8-9-18/h3-7,10-15,18H,8-9H2,1-2H3,(H2,23,24,25,26)
InChIKeySUOVGRHNABBKBJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.25
Rot. Bonds7

About 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112933194) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112933194
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)27-19-12-10-17(11-13-19)23-21-14-20(16-6-4-3-5-7-16)25-22(26-21)24-18-8-9-18/h3-7,10-15,18H,8-9H2,1-2H3,(H2,23,24,25,26)
InChIKeySUOVGRHNABBKBJ-UHFFFAOYSA-N
XLogP5.25
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112933212
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 96667428
2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112934451
N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112934396
2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112933219

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112933194) is 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CC(C)Oc1ccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1.
What is the InChIKey of 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is SUOVGRHNABBKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)27-19-12-10-17(11-13-19)23-21-14-20(16-6-4-3-5-7-16)25-22(26-21)24-18-8-9-18/h3-7,10-15,18H,8-9H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 360.46 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112933194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).