3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide

C11H19N5O — CID 106098686

IUPAC3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCCc1c(N)ncnc1NC(C)(C)CC(N)=O
InChIInChI=1S/C11H19N5O/c1-4-7-9(13)14-6-15-10(7)16-11(2,3)5-8(12)17/h6H,4-5H2,1-3H3,(H2,12,17)(H3,13,14,15,16)
InChIKeySILROXJGLNYLQU-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.69
Rot. Bonds5

About 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106098686) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106098686
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCCc1c(N)ncnc1NC(C)(C)CC(N)=O
InChIInChI=1S/C11H19N5O/c1-4-7-9(13)14-6-15-10(7)16-11(2,3)5-8(12)17/h6H,4-5H2,1-3H3,(H2,12,17)(H3,13,14,15,16)
InChIKeySILROXJGLNYLQU-UHFFFAOYSA-N
XLogP0.69
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106097233
2-[4-Amino-6-(methylamino)pyrimidin-5-yl]acetaldehyde
CID 88966715
2-[4-Amino-6-(tert-butylamino)pyrimidin-5-yl]-2-iminoacetamide
CID 89184959
N-(5,6-dimethylpyrimidin-4-yl)-2-methylpropanamide
CID 91540059
N-(6-amino-5-methyl-4-pyrimidinyl)cyclopropanecarboxamide
CID 118604470
2-[4-Amino-6-(methylamino)pyrimidin-5-yl]acetamide
CID 123510314
2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide
CID 123549194
N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide
CID 129087796
N-[5-methyl-6-(methylamino)pyrimidin-4-yl]cyclopropanecarboxamide
CID 129099569
ethane;5-ethanimidoyl-4-N-ethylpyrimidine-4,6-diamine;propan-1-amine
CID 142467806
N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane
CID 144985882
2-[4-amino-6-(methylamino)pyrimidin-5-yl]-N-[(Z)-1,3-diaminobut-2-enylidene]-2-iminoacetamide;but-1-ene
CID 145272311

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide (CID 106098686) is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide is CCc1c(N)ncnc1NC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is SILROXJGLNYLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-7-9(13)14-6-15-10(7)16-11(2,3)5-8(12)17/h6H,4-5H2,1-3H3,(H2,12,17)(H3,13,14,15,16).
What are the key properties of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 237.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106098686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).