2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C8H12N4O4 — CID 136849660

IUPAC2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCOc1c(NCC(O)C(N)=O)nc[nH]c1=O
InChIInChI=1S/C8H12N4O4/c1-16-5-7(11-3-12-8(5)15)10-2-4(13)6(9)14/h3-4,13H,2H2,1H3,(H2,9,14)(H2,10,11,12,15)
InChIKeyQPCIFCYOSGHVNM-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.96
Rot. Bonds5

About 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136849660) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136849660
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCOc1c(NCC(O)C(N)=O)nc[nH]c1=O
InChIInChI=1S/C8H12N4O4/c1-16-5-7(11-3-12-8(5)15)10-2-4(13)6(9)14/h3-4,13H,2H2,1H3,(H2,9,14)(H2,10,11,12,15)
InChIKeyQPCIFCYOSGHVNM-UHFFFAOYSA-N
XLogP-1.96
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790777
4-[(3,3-difluoro-2-hydroxypropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136790788
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
2-methoxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136675616
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820288
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843220
2-hydroxy-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849666
2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849667
4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136852190
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136857367
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136870602

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136849660) is 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is COc1c(NCC(O)C(N)=O)nc[nH]c1=O.
What is the InChIKey of 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is QPCIFCYOSGHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-16-5-7(11-3-12-8(5)15)10-2-4(13)6(9)14/h3-4,13H,2H2,1H3,(H2,9,14)(H2,10,11,12,15).
What are the key properties of 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 228.21 g/mol, XLogP of -1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136849660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).