N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide

C17H21ClN4O — CID 109332770

IUPACN-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O/c1-10-6-7-12(9-13(10)18)20-16-19-11(2)8-14(21-16)15(23)22-17(3,4)5/h6-9H,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyOZRDLUPCGNTPBA-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.02
Rot. Bonds3

About N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide

N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332770) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332770
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O/c1-10-6-7-12(9-13(10)18)20-16-19-11(2)8-14(21-16)15(23)22-17(3,4)5/h6-9H,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyOZRDLUPCGNTPBA-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337316
N-tert-butyl-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332746
2-(3-chloro-4-methylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332541
2-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328586
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(3,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320398
2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109338127
N-tert-butyl-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109332844
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
2-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335672

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide (CID 109332770) is N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)(C)C)nc(Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is OZRDLUPCGNTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-10-6-7-12(9-13(10)18)20-16-19-11(2)8-14(21-16)15(23)22-17(3,4)5/h6-9H,1-5H3,(H,22,23)(H,19,20,21).
What are the key properties of N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide?
N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).