5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione

C7H11N3O3 — CID 7373410

IUPAC5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
SMILESC[C@H](O)CNc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-4(11)2-8-5-3-9-7(13)10-6(5)12/h3-4,8,11H,2H2,1H3,(H2,9,10,12,13)/t4-/m0/s1
InChIKeyNLRZFYMKBQGPJZ-BYPYZUCNSA-N
MW185.18 g/mol
LogP-1.14
Rot. Bonds3

About 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione

5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione (PubChem CID 7373410) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
PubChem CID7373410
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
SMILESC[C@H](O)CNc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-4(11)2-8-5-3-9-7(13)10-6(5)12/h3-4,8,11H,2H2,1H3,(H2,9,10,12,13)/t4-/m0/s1
InChIKeyNLRZFYMKBQGPJZ-BYPYZUCNSA-N
XLogP-1.14
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[Bis(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 241440
5-[(2-hydroxypropyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 16474434
1H-Pyrimidine-2,4-dione, 5-(2-hydroxy-1,1-dimethylethylamino)-
CID 1511303
5-[(2-hydroxyethyl)(methyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 7373407
5-((2-hydroxyethyl)amino)pyrimidine-2,4(1H,3H)-dione
CID 236131
5-[(2-hydroxyethyl)amino]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 299518
(2R)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 139253334
5-[(2-Fluoroethyl)(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 269002
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723344
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide
CID 103755765
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 103769630
N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 103769915

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione (CID 7373410) is 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione is C[C@H](O)CNc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione?
The InChIKey is NLRZFYMKBQGPJZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4(11)2-8-5-3-9-7(13)10-6(5)12/h3-4,8,11H,2H2,1H3,(H2,9,10,12,13)/t4-/m0/s1.
What are the key properties of 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione?
5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione has a molecular weight of 185.18 g/mol, XLogP of -1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7373410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).