4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine

C23H26N4O — CID 112934172

IUPAC4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCC(C)Oc1ccc(Nc2nc(-c3ccccc3)cc(N3CCCC3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17(2)28-20-12-10-19(11-13-20)24-23-25-21(18-8-4-3-5-9-18)16-22(26-23)27-14-6-7-15-27/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,24,25,26)
InChIKeyGFJNGJLHWRDQKS-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.27
Rot. Bonds6

About 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine

4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112934172) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112934172
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCC(C)Oc1ccc(Nc2nc(-c3ccccc3)cc(N3CCCC3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17(2)28-20-12-10-19(11-13-20)24-23-25-21(18-8-4-3-5-9-18)16-22(26-23)27-14-6-7-15-27/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,24,25,26)
InChIKeyGFJNGJLHWRDQKS-UHFFFAOYSA-N
XLogP5.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303
N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936319
N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934156
2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868535
N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934190
methyl 3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112934184
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934541
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide
CID 18566670
2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112933194
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936313

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112934172) is 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine is CC(C)Oc1ccc(Nc2nc(-c3ccccc3)cc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is GFJNGJLHWRDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)28-20-12-10-19(11-13-20)24-23-25-21(18-8-4-3-5-9-18)16-22(26-23)27-14-6-7-15-27/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,24,25,26).
What are the key properties of 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).