6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide

C20H28N4O — CID 109362417

IUPAC6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-7-13(2)21-18-12-17(22-14(3)23-18)19(25)24-16-10-8-15(9-11-16)20(4,5)6/h8-13H,7H2,1-6H3,(H,24,25)(H,21,22,23)
InChIKeyTWPCXYOQDRUYFA-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.55
Rot. Bonds5

About 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109362417) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109362417
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-7-13(2)21-18-12-17(22-14(3)23-18)19(25)24-16-10-8-15(9-11-16)20(4,5)6/h8-13H,7H2,1-6H3,(H,24,25)(H,21,22,23)
InChIKeyTWPCXYOQDRUYFA-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419
N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
CID 109362467
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
N-(4-tert-butylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371017

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109362417) is 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(C)n1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is TWPCXYOQDRUYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-7-13(2)21-18-12-17(22-14(3)23-18)19(25)24-16-10-8-15(9-11-16)20(4,5)6/h8-13H,7H2,1-6H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).