N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide

C19H26N4O2 — CID 109343201

IUPACN-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)23-18(24)16-12-17(22-13-21-16)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyLSTOOPUMLKCPBD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.47
Rot. Bonds7

About N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide

N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide (PubChem CID 109343201) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
PubChem CID109343201
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)23-18(24)16-12-17(22-13-21-16)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyLSTOOPUMLKCPBD-UHFFFAOYSA-N
XLogP3.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.47
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

6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343279
6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343382
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109343244
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide (CID 109343201) is N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide is COCCCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is LSTOOPUMLKCPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)23-18(24)16-12-17(22-13-21-16)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).