N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C16H28N4O — CID 62181175

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H28N4O/c1-10(2)14-18-9-12(17-7)13(19-14)15(21)20(8)11(3)16(4,5)6/h9-11,17H,1-8H3
InChIKeyQNJMZCVQQSXHPL-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.15
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62181175) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62181175
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H28N4O/c1-10(2)14-18-9-12(17-7)13(19-14)15(21)20(8)11(3)16(4,5)6/h9-11,17H,1-8H3
InChIKeyQNJMZCVQQSXHPL-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62181175) is N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is QNJMZCVQQSXHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-10(2)14-18-9-12(17-7)13(19-14)15(21)20(8)11(3)16(4,5)6/h9-11,17H,1-8H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62181175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).