6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide

C20H29N5O — CID 109354368

IUPAC6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NCCC(C)C)ncn2)cc1
InChIInChI=1S/C20H29N5O/c1-5-25(6-2)17-9-7-16(8-10-17)24-19-13-18(22-14-23-19)20(26)21-12-11-15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,26)(H,22,23,24)
InChIKeyRWSYNJGUQXRNJH-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.84
Rot. Bonds9

About 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109354368) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109354368
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NCCC(C)C)ncn2)cc1
InChIInChI=1S/C20H29N5O/c1-5-25(6-2)17-9-7-16(8-10-17)24-19-13-18(22-14-23-19)20(26)21-12-11-15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,26)(H,22,23,24)
InChIKeyRWSYNJGUQXRNJH-UHFFFAOYSA-N
XLogP3.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354367
6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354342
6-(4-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354404
N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109353919
2-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311924
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320
6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344009
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589
1-[4-[6-[4-(diethylamino)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346100
N-[4-(diethylamino)-2-methylphenyl]-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357981

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109354368) is 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide is CCN(CC)c1ccc(Nc2cc(C(=O)NCCC(C)C)ncn2)cc1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is RWSYNJGUQXRNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-5-25(6-2)17-9-7-16(8-10-17)24-19-13-18(22-14-23-19)20(26)21-12-11-15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,26)(H,22,23,24).
What are the key properties of 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).