6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

C19H26N4O — CID 109340486

IUPAC6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1cc(C(=O)NCC(C)C)ncn1
InChIInChI=1S/C19H26N4O/c1-12(2)10-20-19(24)16-9-17(22-11-21-16)23-18-14(5)7-6-8-15(18)13(3)4/h6-9,11-13H,10H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyWJNIYJSZVULDEC-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.04
Rot. Bonds6

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

6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109340486) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109340486
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1cc(C(=O)NCC(C)C)ncn1
InChIInChI=1S/C19H26N4O/c1-12(2)10-20-19(24)16-9-17(22-11-21-16)23-18-14(5)7-6-8-15(18)13(3)4/h6-9,11-13H,10H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyWJNIYJSZVULDEC-UHFFFAOYSA-N
XLogP4.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109340865
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341722
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248539
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
N-(1,1-dioxothiolan-3-yl)-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109351844
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109339385
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359764

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109340486) is 6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1cccc(C(C)C)c1Nc1cc(C(=O)NCC(C)C)ncn1.
What is the InChIKey of 6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is WJNIYJSZVULDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)10-20-19(24)16-9-17(22-11-21-16)23-18-14(5)7-6-8-15(18)13(3)4/h6-9,11-13H,10H2,1-5H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.04, 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-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).