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

C18H25N5O — CID 109354367

IUPAC6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C18H25N5O/c1-13(2)9-10-19-18(24)16-11-17(21-12-20-16)22-14-5-7-15(8-6-14)23(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyMFAVQXTYLYTFQT-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.06
Rot. Bonds7

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

6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109354367) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109354367
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C18H25N5O/c1-13(2)9-10-19-18(24)16-11-17(21-12-20-16)22-14-5-7-15(8-6-14)23(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyMFAVQXTYLYTFQT-UHFFFAOYSA-N
XLogP3.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.06
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-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354342
6-(4-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354404
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
6-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351274
6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356981
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320
N-(4-tert-butylphenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109357788
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109354803
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109354367) is 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide is CC(C)CCNC(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1.
What is the InChIKey of 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is MFAVQXTYLYTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)9-10-19-18(24)16-11-17(21-12-20-16)22-14-5-7-15(8-6-14)23(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,19,24)(H,20,21,22).
What are the key properties of 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).