2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

C16H20N4O2 — CID 109248366

IUPAC2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)cn1
InChIInChI=1S/C16H20N4O2/c1-3-4-9-17-16-18-10-12(11-19-16)15(21)20-13-5-7-14(22-2)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyQIUXCDPPFYUTFT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.95
Rot. Bonds7

About 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109248366) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109248366
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)cn1
InChIInChI=1S/C16H20N4O2/c1-3-4-9-17-16-18-10-12(11-19-16)15(21)20-13-5-7-14(22-2)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyQIUXCDPPFYUTFT-UHFFFAOYSA-N
XLogP2.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.95
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-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802
2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109248417
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (CID 109248366) is 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)cn1.
What is the InChIKey of 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is QIUXCDPPFYUTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-4-9-17-16-18-10-12(11-19-16)15(21)20-13-5-7-14(22-2)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).