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

C9H14N4O2 — CID 106171849

IUPAC2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
SMILESCc1nccc(CNCC(O)C(N)=O)n1
InChIInChI=1S/C9H14N4O2/c1-6-12-3-2-7(13-6)4-11-5-8(14)9(10)15/h2-3,8,11,14H,4-5H2,1H3,(H2,10,15)
InChIKeySMMPWWMYWHOOGW-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.28
Rot. Bonds5

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

2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide (PubChem CID 106171849) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
PubChem CID106171849
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
SMILESCc1nccc(CNCC(O)C(N)=O)n1
InChIInChI=1S/C9H14N4O2/c1-6-12-3-2-7(13-6)4-11-5-8(14)9(10)15/h2-3,8,11,14H,4-5H2,1H3,(H2,10,15)
InChIKeySMMPWWMYWHOOGW-UHFFFAOYSA-N
XLogP-1.28
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 106170693
3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 106284785
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
2-hydroxy-3-[(5-hydroxy-2-pyridinyl)methylamino]propanamide
CID 106171460
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106178072
2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 62326409
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970538
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide (CID 106171849) is 2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide is Cc1nccc(CNCC(O)C(N)=O)n1.
What is the InChIKey of 2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The InChIKey is SMMPWWMYWHOOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-12-3-2-7(13-6)4-11-5-8(14)9(10)15/h2-3,8,11,14H,4-5H2,1H3,(H2,10,15).
What are the key properties of 2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide has a molecular weight of 210.24 g/mol, XLogP of -1.28, 5 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)methylamino]propanamide is sourced from PubChem (CID 106171849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).