6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide

C19H26N4O2 — CID 109343382

IUPAC6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)23-17-12-16(21-13-22-17)18(24)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyNSHWZWZWXYIJMS-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.28
Rot. Bonds7

About 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide

6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide (PubChem CID 109343382) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
PubChem CID109343382
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)23-17-12-16(21-13-22-17)18(24)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyNSHWZWZWXYIJMS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109343362
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287
6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109343097
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
6-(4-tert-butylanilino)pyrimidine-4-carboxylic acid
CID 82306129
ethyl 4-[[6-(2-methoxyethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109343078
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343328
N-(4-tert-butylphenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109357788

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide (CID 109343382) is 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide is COCCCNC(=O)c1cc(Nc2ccc(C(C)(C)C)cc2)ncn1.
What is the InChIKey of 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The InChIKey is NSHWZWZWXYIJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)23-17-12-16(21-13-22-17)18(24)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).