2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

C19H26N4O — CID 109248539

IUPAC2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ncc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C19H26N4O/c1-12(2)9-20-18(24)15-10-21-19(22-11-15)23-17-14(5)7-6-8-16(17)13(3)4/h6-8,10-13H,9H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyYUCIBSZWTPNJRZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.04
Rot. Bonds6

About 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 109248539) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID109248539
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ncc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C19H26N4O/c1-12(2)9-20-18(24)15-10-21-19(22-11-15)23-17-14(5)7-6-8-16(17)13(3)4/h6-8,10-13H,9H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyYUCIBSZWTPNJRZ-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

2-(2-methyl-6-propan-2-ylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247761
N-[(2-fluorophenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256940
N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109249626
N-(4-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268173
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171
N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268195
6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259214
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249307

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 109248539) is 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is Cc1cccc(C(C)C)c1Nc1ncc(C(=O)NCC(C)C)cn1.
What is the InChIKey of 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is YUCIBSZWTPNJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)9-20-18(24)15-10-21-19(22-11-15)23-17-14(5)7-6-8-16(17)13(3)4/h6-8,10-13H,9H2,1-5H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-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 2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).