3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide

C12H21N5O2 — CID 106914177

IUPAC3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCCCOc1ncnc(N(C)CCC(=O)NC)c1N
InChIInChI=1S/C12H21N5O2/c1-4-7-19-12-10(13)11(15-8-16-12)17(3)6-5-9(18)14-2/h8H,4-7,13H2,1-3H3,(H,14,18)
InChIKeyYDSRHDIAXMGLIE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.42
Rot. Bonds7

About 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 106914177) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID106914177
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCCCOc1ncnc(N(C)CCC(=O)NC)c1N
InChIInChI=1S/C12H21N5O2/c1-4-7-19-12-10(13)11(15-8-16-12)17(3)6-5-9(18)14-2/h8H,4-7,13H2,1-3H3,(H,14,18)
InChIKeyYDSRHDIAXMGLIE-UHFFFAOYSA-N
XLogP0.42
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 106914177) is 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide is CCCOc1ncnc(N(C)CCC(=O)NC)c1N.
What is the InChIKey of 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is YDSRHDIAXMGLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-7-19-12-10(13)11(15-8-16-12)17(3)6-5-9(18)14-2/h8H,4-7,13H2,1-3H3,(H,14,18).
What are the key properties of 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).