N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide

C20H28N4O — CID 109321474

IUPACN-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H28N4O/c1-7-13(2)21-18(25)17-12-14(3)22-19(24-17)23-16-11-9-8-10-15(16)20(4,5)6/h8-13H,7H2,1-6H3,(H,21,25)(H,22,23,24)
InChIKeyYWDUWACJIJQHDJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.35
Rot. Bonds5

About N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide

N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321474) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109321474
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H28N4O/c1-7-13(2)21-18(25)17-12-14(3)22-19(24-17)23-16-11-9-8-10-15(16)20(4,5)6/h8-13H,7H2,1-6H3,(H,21,25)(H,22,23,24)
InChIKeyYWDUWACJIJQHDJ-UHFFFAOYSA-N
XLogP4.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464
N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109321438
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321826
N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336679
N-butan-2-yl-5-(2-tert-butylanilino)pyrazine-2-carboxamide
CID 109273222
2-(2-tert-butylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336670
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109321493
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
N-(2-tert-butylphenyl)-2-(2,4-difluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336685
ethyl 4-[[4-(butan-2-ylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109321533
N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109321407

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide (CID 109321474) is N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is YWDUWACJIJQHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-7-13(2)21-18(25)17-12-14(3)22-19(24-17)23-16-11-9-8-10-15(16)20(4,5)6/h8-13H,7H2,1-6H3,(H,21,25)(H,22,23,24).
What are the key properties of N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide?
N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).