5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione

C8H13N3O4 — CID 171857639

IUPAC5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione
SMILESCNCC(O)C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-9-3-5(12)6(13)4-2-10-8(15)11-7(4)14/h2,5-6,9,12-13H,3H2,1H3,(H2,10,11,14,15)
InChIKeyBRJLAVFNXCXURC-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.32
Rot. Bonds4

About 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione

5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 171857639) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione
PubChem CID171857639
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione
SMILESCNCC(O)C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-9-3-5(12)6(13)4-2-10-8(15)11-7(4)14/h2,5-6,9,12-13H,3H2,1H3,(H2,10,11,14,15)
InChIKeyBRJLAVFNXCXURC-UHFFFAOYSA-N
XLogP-2.32
TPSA118.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1,2-dihydroxy-4-(methylamino)butyl]-1H-pyrimidine-2,4-dione
CID 171889901
4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide
CID 171898858
5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 171857429
3-[1,2-dihydroxy-3-(methylamino)propyl]-5-nitro-1H-pyridin-2-one
CID 171858342
5-butan-2-yl-1H-pyrimidine-2,4-dione
CID 587021
5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
CID 7373413
4-[1,2-dihydroxy-3-(methylamino)propyl]-1H-indole-3-carbaldehyde
CID 171858734
5-tridecan-7-yl-1H-pyrimidine-2,4-dione
CID 170289085
5-[1,2-dihydroxy-3-(methylamino)propyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 171858584
5-[1,2-dihydroxy-3-(methylamino)propyl]naphthalene-1-carboxylic acid
CID 171858908
3-[1,2-dihydroxy-3-(methylamino)propyl]-2-fluorobenzoic acid
CID 171858209
5-undecan-5-yl-1H-pyrimidine-2,4-dione
CID 167307336

Frequently Asked Questions

What is the IUPAC name of 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione (CID 171857639) is 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione is CNCC(O)C(O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BRJLAVFNXCXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-9-3-5(12)6(13)4-2-10-8(15)11-7(4)14/h2,5-6,9,12-13H,3H2,1H3,(H2,10,11,14,15).
What are the key properties of 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione?
5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 215.21 g/mol, XLogP of -2.32, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 171857639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).