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

C10H16N4O2 — CID 106916351

IUPAC3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(CO)cn1
InChIInChI=1S/C10H16N4O2/c1-11-9(16)3-4-14(2)10-12-5-8(7-15)6-13-10/h5-6,15H,3-4,7H2,1-2H3,(H,11,16)
InChIKeyHKHRGGDTXCCIIS-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.46
Rot. Bonds5

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

3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide (PubChem CID 106916351) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
PubChem CID106916351
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(CO)cn1
InChIInChI=1S/C10H16N4O2/c1-11-9(16)3-4-14(2)10-12-5-8(7-15)6-13-10/h5-6,15H,3-4,7H2,1-2H3,(H,11,16)
InChIKeyHKHRGGDTXCCIIS-UHFFFAOYSA-N
XLogP-0.46
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914441
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
CID 106916334
3-[methyl-[5-(2-methylpropyl)pyrimidin-2-yl]amino]propanoic acid
CID 116977768
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
CID 63873061
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 103580195
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
CID 113387821
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 107548252

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide (CID 106916351) is 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ncc(CO)cn1.
What is the InChIKey of 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide?
The InChIKey is HKHRGGDTXCCIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-11-9(16)3-4-14(2)10-12-5-8(7-15)6-13-10/h5-6,15H,3-4,7H2,1-2H3,(H,11,16).
What are the key properties of 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide?
3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide has a molecular weight of 224.26 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106916351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).