2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide

C13H23N5O — CID 80982333

IUPAC2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCc1nc(N)c(C)c(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C13H23N5O/c1-6-10-16-12(14)9(4)13(17-10)18(5)7-11(19)15-8(2)3/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17)
InChIKeyDARUQUKDQGIKDR-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.89
Rot. Bonds5

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

2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 80982333) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID80982333
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCc1nc(N)c(C)c(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C13H23N5O/c1-6-10-16-12(14)9(4)13(17-10)18(5)7-11(19)15-8(2)3/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17)
InChIKeyDARUQUKDQGIKDR-UHFFFAOYSA-N
XLogP0.89
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918601
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80986192
2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80983230
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80971413
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80993955
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80987749
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808785
2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
CID 112667867
2-ethyl-4-N,5-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667604
2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 79826827
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (CID 80982333) is 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is CCc1nc(N)c(C)c(N(C)CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is DARUQUKDQGIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-10-16-12(14)9(4)13(17-10)18(5)7-11(19)15-8(2)3/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80982333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).