2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide

C10H15N5O3 — CID 106164955

IUPAC2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
SMILESCN(CC(=O)NCC(O)C(N)=O)c1ncccn1
InChIInChI=1S/C10H15N5O3/c1-15(10-12-3-2-4-13-10)6-8(17)14-5-7(16)9(11)18/h2-4,7,16H,5-6H2,1H3,(H2,11,18)(H,14,17)
InChIKeyNFOPVFYPFLAMIG-UHFFFAOYSA-N
MW253.26 g/mol
LogP-2.12
Rot. Bonds6

About 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide

2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide (PubChem CID 106164955) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
PubChem CID106164955
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
SMILESCN(CC(=O)NCC(O)C(N)=O)c1ncccn1
InChIInChI=1S/C10H15N5O3/c1-15(10-12-3-2-4-13-10)6-8(17)14-5-7(16)9(11)18/h2-4,7,16H,5-6H2,1H3,(H2,11,18)(H,14,17)
InChIKeyNFOPVFYPFLAMIG-UHFFFAOYSA-N
XLogP-2.12
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Hydroxypropyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 53504637
2-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 53556600
(2-Methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 118739931
[2-(Ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906176
2-[2-methoxyethyl(pyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 71981404
(2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 164629855
1-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103755833
N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103770124
2-[methyl(pyrimidin-2-yl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648882
N-(3,3-difluoro-2-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 105649236
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 107483168
N-(2-hydroxyethyl)-2-[methyl(pyrimidin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107483439

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide (CID 106164955) is 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide is CN(CC(=O)NCC(O)C(N)=O)c1ncccn1.
What is the InChIKey of 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide?
The InChIKey is NFOPVFYPFLAMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-15(10-12-3-2-4-13-10)6-8(17)14-5-7(16)9(11)18/h2-4,7,16H,5-6H2,1H3,(H2,11,18)(H,14,17).
What are the key properties of 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide?
2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide has a molecular weight of 253.26 g/mol, XLogP of -2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide is sourced from PubChem (CID 106164955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).