6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

C16H20N4O — CID 109353739

IUPAC6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(C)(C)C)ncn2)cc1
InChIInChI=1S/C16H20N4O/c1-11-5-7-12(8-6-11)19-15(21)13-9-14(18-10-17-13)20-16(2,3)4/h5-10H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyQAYMATVIPLNIQF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds3

About 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109353739) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109353739
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(C)(C)C)ncn2)cc1
InChIInChI=1S/C16H20N4O/c1-11-5-7-12(8-6-11)19-15(21)13-9-14(18-10-17-13)20-16(2,3)4/h5-10H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyQAYMATVIPLNIQF-UHFFFAOYSA-N
XLogP3.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109353761
ethyl 4-[[6-(tert-butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109353818
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
6-(tert-butylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109124730
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
N-(4-acetylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347355
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109353739) is 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NC(C)(C)C)ncn2)cc1.
What is the InChIKey of 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QAYMATVIPLNIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-5-7-12(8-6-11)19-15(21)13-9-14(18-10-17-13)20-16(2,3)4/h5-10H,1-4H3,(H,19,21)(H,17,18,20).
What are the key properties of 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).