6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C18H24N4O2 — CID 109339940

IUPAC6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ncn1
InChIInChI=1S/C18H24N4O2/c1-4-5-10-19-17-11-16(20-12-21-17)18(23)22-14-6-8-15(9-7-14)24-13(2)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyHYRUMDUAWKIGSX-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.73
Rot. Bonds8

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

6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109339940) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109339940
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ncn1
InChIInChI=1S/C18H24N4O2/c1-4-5-10-19-17-11-16(20-12-21-17)18(23)22-14-6-8-15(9-7-14)24-13(2)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyHYRUMDUAWKIGSX-UHFFFAOYSA-N
XLogP3.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
6-(pentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109354484
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109339975
2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112846753
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
6-(butylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109339977
6-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109339973
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109339940) is 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is CCCCNc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ncn1.
What is the InChIKey of 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is HYRUMDUAWKIGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-5-10-19-17-11-16(20-12-21-17)18(23)22-14-6-8-15(9-7-14)24-13(2)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).