2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide

C21H30N4O — CID 109263050

IUPAC2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(NC(C)(C)C)nc1
InChIInChI=1S/C21H30N4O/c1-13(2)16-9-8-10-17(14(3)4)18(16)24-19(26)15-11-22-20(23-12-15)25-21(5,6)7/h8-14H,1-7H3,(H,24,26)(H,22,23,25)
InChIKeyNPACOTLVBZOWRP-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.19
Rot. Bonds5

About 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide

2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109263050) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
PubChem CID109263050
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(NC(C)(C)C)nc1
InChIInChI=1S/C21H30N4O/c1-13(2)16-9-8-10-17(14(3)4)18(16)24-19(26)15-11-22-20(23-12-15)25-21(5,6)7/h8-14H,1-7H3,(H,24,26)(H,22,23,25)
InChIKeyNPACOTLVBZOWRP-UHFFFAOYSA-N
XLogP5.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250248
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262867
2-(tert-butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109263016
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 110863414
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255128

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide (CID 109263050) is 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(NC(C)(C)C)nc1.
What is the InChIKey of 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is NPACOTLVBZOWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-13(2)16-9-8-10-17(14(3)4)18(16)24-19(26)15-11-22-20(23-12-15)25-21(5,6)7/h8-14H,1-7H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide?
2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109263050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).