6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide

C18H24N4O — CID 109354537

IUPAC6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2c(C)cccc2C)ncn1
InChIInChI=1S/C18H24N4O/c1-4-5-6-10-19-18(23)15-11-16(21-12-20-15)22-17-13(2)8-7-9-14(17)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyIMOBNZGRVYLGJC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.76
Rot. Bonds7

About 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide

6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide (PubChem CID 109354537) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
PubChem CID109354537
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2c(C)cccc2C)ncn1
InChIInChI=1S/C18H24N4O/c1-4-5-6-10-19-18(23)15-11-16(21-12-20-15)22-17-13(2)8-7-9-14(17)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyIMOBNZGRVYLGJC-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
6-(3-acetylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354575
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
6-(3-cyanoanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354614
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414
N-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340116
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide (CID 109354537) is 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(Nc2c(C)cccc2C)ncn1.
What is the InChIKey of 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide?
The InChIKey is IMOBNZGRVYLGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-6-10-19-18(23)15-11-16(21-12-20-15)22-17-13(2)8-7-9-14(17)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide?
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109354537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).