2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide

C8H12N4O2 — CID 106170693

IUPAC2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1nccc(NCC(O)C(N)=O)n1
InChIInChI=1S/C8H12N4O2/c1-5-10-3-2-7(12-5)11-4-6(13)8(9)14/h2-3,6,13H,4H2,1H3,(H2,9,14)(H,10,11,12)
InChIKeyMWFRXEGGQWUINQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.96
Rot. Bonds4

About 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide

2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 106170693) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
PubChem CID106170693
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1nccc(NCC(O)C(N)=O)n1
InChIInChI=1S/C8H12N4O2/c1-5-10-3-2-7(12-5)11-4-6(13)8(9)14/h2-3,6,13H,4H2,1H3,(H2,9,14)(H,10,11,12)
InChIKeyMWFRXEGGQWUINQ-UHFFFAOYSA-N
XLogP-0.96
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849
3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604
2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 62769511
2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 79033671
2-hydroxy-3-(pyridazin-3-ylamino)propanamide
CID 106170861
N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine
CID 66089481
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 64701760
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380627

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide (CID 106170693) is 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide is Cc1nccc(NCC(O)C(N)=O)n1.
What is the InChIKey of 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is MWFRXEGGQWUINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-10-3-2-7(12-5)11-4-6(13)8(9)14/h2-3,6,13H,4H2,1H3,(H2,9,14)(H,10,11,12).
What are the key properties of 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide?
2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 196.21 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 106170693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).