6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C23H26N4O2 — CID 109353551

IUPAC6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C23H26N4O2/c1-17(2)29-21-13-7-6-12-19(21)27-23(28)20-15-22(26-16-25-20)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15-17H,8,11,14H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyFNCFDRKLBSCJLU-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.56
Rot. Bonds9

About 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109353551) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109353551
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C23H26N4O2/c1-17(2)29-21-13-7-6-12-19(21)27-23(28)20-15-22(26-16-25-20)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15-17H,8,11,14H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyFNCFDRKLBSCJLU-UHFFFAOYSA-N
XLogP4.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608
2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109174876
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109194927
N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353533
N-(2,4-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353528
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109351052
N-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572
5-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109284560
4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109353551) is 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cc(NCCCc2ccccc2)ncn1.
What is the InChIKey of 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is FNCFDRKLBSCJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(2)29-21-13-7-6-12-19(21)27-23(28)20-15-22(26-16-25-20)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15-17H,8,11,14H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).