3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide

C9H15N5O — CID 106914145

IUPAC3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(N)cn1
InChIInChI=1S/C9H15N5O/c1-11-8(15)3-4-14(2)9-12-5-7(10)6-13-9/h5-6H,3-4,10H2,1-2H3,(H,11,15)
InChIKeyVIQOXCREGLWTSU-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds4

About 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide

3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide (PubChem CID 106914145) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
PubChem CID106914145
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(N)cn1
InChIInChI=1S/C9H15N5O/c1-11-8(15)3-4-14(2)9-12-5-7(10)6-13-9/h5-6H,3-4,10H2,1-2H3,(H,11,15)
InChIKeyVIQOXCREGLWTSU-UHFFFAOYSA-N
XLogP-0.37
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
CID 106916351
3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914216
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914441
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
CID 106914151
2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
CID 63873061
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 107548252
methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate
CID 106917726
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide
CID 106918444

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide (CID 106914145) is 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ncc(N)cn1.
What is the InChIKey of 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide?
The InChIKey is VIQOXCREGLWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-11-8(15)3-4-14(2)9-12-5-7(10)6-13-9/h5-6H,3-4,10H2,1-2H3,(H,11,15).
What are the key properties of 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide?
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide has a molecular weight of 209.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).