2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone

C12H19N5O — CID 113406499

IUPAC2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(N)c(C)c(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C12H19N5O/c1-8-11(13)15-9(2)16-12(8)14-7-10(18)17-5-3-4-6-17/h3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyUECCSJQZACHETH-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.71
Rot. Bonds3

About 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 113406499) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID113406499
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(N)c(C)c(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C12H19N5O/c1-8-11(13)15-9(2)16-12(8)14-7-10(18)17-5-3-4-6-17/h3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyUECCSJQZACHETH-UHFFFAOYSA-N
XLogP0.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39082060
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236393
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405791
5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
CID 114407658
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-morpholin-4-ylethanone
CID 133462400
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
2,5-dimethyl-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80801780
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 80851174
2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113405876
3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117234
2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115577665
2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766348

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone (CID 113406499) is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone is Cc1nc(N)c(C)c(NCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is UECCSJQZACHETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-11(13)15-9(2)16-12(8)14-7-10(18)17-5-3-4-6-17/h3-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 249.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 113406499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).