6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide

C18H24N4O — CID 109338546

IUPAC6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2c(C)cccc2C(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-5-9-19-18(23)15-10-16(21-11-20-15)22-17-13(4)7-6-8-14(17)12(2)3/h6-8,10-12H,5,9H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyXUAWLPHDYMBZIB-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.79
Rot. Bonds6

About 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide

6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109338546) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109338546
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2c(C)cccc2C(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-5-9-19-18(23)15-10-16(21-11-20-15)22-17-13(4)7-6-8-14(17)12(2)3/h6-8,10-12H,5,9H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyXUAWLPHDYMBZIB-UHFFFAOYSA-N
XLogP3.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109340865
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109202571
N-(1,1-dioxothiolan-3-yl)-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109351844
[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341722
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109339385
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide (CID 109338546) is 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2c(C)cccc2C(C)C)ncn1.
What is the InChIKey of 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is XUAWLPHDYMBZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-9-19-18(23)15-10-16(21-11-20-15)22-17-13(4)7-6-8-14(17)12(2)3/h6-8,10-12H,5,9H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide?
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).