N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C20H28N4O — CID 109313001

IUPACN,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C20H28N4O/c1-6-10-24(11-7-2)19(25)17-8-9-21-20(22-17)23-18-15(4)12-14(3)13-16(18)5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,21,22,23)
InChIKeyCUABKWUQDNYGOS-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.41
Rot. Bonds7

About N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109313001) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109313001
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C20H28N4O/c1-6-10-24(11-7-2)19(25)17-8-9-21-20(22-17)23-18-15(4)12-14(3)13-16(18)5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,21,22,23)
InChIKeyCUABKWUQDNYGOS-UHFFFAOYSA-N
XLogP4.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109334224
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313014
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029
2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313017
2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109311740
N-[(2-chlorophenyl)methyl]-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109305892
N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316170

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109313001) is N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is CUABKWUQDNYGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-6-10-24(11-7-2)19(25)17-8-9-21-20(22-17)23-18-15(4)12-14(3)13-16(18)5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,21,22,23).
What are the key properties of N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).