2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide

C15H27N5O — CID 80993955

IUPAC2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCNc1nc(C(C)C)nc(N(C)CC(=O)NC(C)C)c1C
InChIInChI=1S/C15H27N5O/c1-9(2)13-18-14(16-6)11(5)15(19-13)20(7)8-12(21)17-10(3)4/h9-10H,8H2,1-7H3,(H,17,21)(H,16,18,19)
InChIKeyPTWYMXWMGCHWLU-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.91
Rot. Bonds6

About 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide

2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide (PubChem CID 80993955) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
PubChem CID80993955
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCNc1nc(C(C)C)nc(N(C)CC(=O)NC(C)C)c1C
InChIInChI=1S/C15H27N5O/c1-9(2)13-18-14(16-6)11(5)15(19-13)20(7)8-12(21)17-10(3)4/h9-10H,8H2,1-7H3,(H,17,21)(H,16,18,19)
InChIKeyPTWYMXWMGCHWLU-UHFFFAOYSA-N
XLogP1.91
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80982737
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
CID 80980902
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-propan-2-ylacetamide
CID 80805162
4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986468
2-[ethyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 103104381
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80983504
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80982333
N-ethyl-2-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80987499
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80971413
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide (CID 80993955) is 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide is CNc1nc(C(C)C)nc(N(C)CC(=O)NC(C)C)c1C.
What is the InChIKey of 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is PTWYMXWMGCHWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-9(2)13-18-14(16-6)11(5)15(19-13)20(7)8-12(21)17-10(3)4/h9-10H,8H2,1-7H3,(H,17,21)(H,16,18,19).
What are the key properties of 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 293.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80993955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).