N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide

C19H27N5O — CID 109344935

IUPACN-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1cc(C(=O)NCCCN(C)C)ncn1
InChIInChI=1S/C19H27N5O/c1-5-15-9-6-8-14(2)18(15)23-17-12-16(21-13-22-17)19(25)20-10-7-11-24(3)4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeyTYOJSWJKIFHZSQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.77
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109344935) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
PubChem CID109344935
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1cc(C(=O)NCCCN(C)C)ncn1
InChIInChI=1S/C19H27N5O/c1-5-15-9-6-8-14(2)18(15)23-17-12-16(21-13-22-17)19(25)20-10-7-11-24(3)4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeyTYOJSWJKIFHZSQ-UHFFFAOYSA-N
XLogP2.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.77
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-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344323
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109116034
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
N-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109301317

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide (CID 109344935) is N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide is CCc1cccc(C)c1Nc1cc(C(=O)NCCCN(C)C)ncn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is TYOJSWJKIFHZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-15-9-6-8-14(2)18(15)23-17-12-16(21-13-22-17)19(25)20-10-7-11-24(3)4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,20,25)(H,21,22,23).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).