5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione

C8H14N4O3 — CID 12876541

IUPAC5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione
SMILESCC(O)Cn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O3/c1-4(13)3-12-6(10)5(9)7(14)11(2)8(12)15/h4,13H,3,9-10H2,1-2H3
InChIKeyOLYIXZPUAUTPRG-UHFFFAOYSA-N
MW214.23 g/mol
LogP-1.91
Rot. Bonds2

About 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione

5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione (PubChem CID 12876541) has the molecular formula C8H14N4O3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione
PubChem CID12876541
Molecular FormulaC8H14N4O3
Molecular Weight214.23 g/mol
Exact Mass214.11
IUPAC Name5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione
SMILESCC(O)Cn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O3/c1-4(13)3-12-6(10)5(9)7(14)11(2)8(12)15/h4,13H,3,9-10H2,1-2H3
InChIKeyOLYIXZPUAUTPRG-UHFFFAOYSA-N
XLogP-1.91
TPSA116.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-Hydroxypropyl)-1,3-dimethyl-8,9-dihydropurine-2,6-dione
CID 466065
5-amino-6-(3-hydroxypropylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 10965871
6-Amino-3-ethyl-1-(2-hydroxyethyl)-5-nitroso-2,4(1H,3H)-pyrimidinedione
CID 385991
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione
CID 103731271
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione
CID 103731300
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione
CID 103731301
6-Amino-3-methyl-1-propyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrimidine-2,4-dione
CID 105646954
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 105647581
6-Amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione
CID 107484102
6-Amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 107484234
6-Amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione
CID 107484274
6-Amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione
CID 107484402

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione (CID 12876541) is 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione is CC(O)Cn1c(N)c(N)c(=O)n(C)c1=O.
What is the InChIKey of 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is OLYIXZPUAUTPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-4(13)3-12-6(10)5(9)7(14)11(2)8(12)15/h4,13H,3,9-10H2,1-2H3.
What are the key properties of 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione?
5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 214.23 g/mol, XLogP of -1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-(2-hydroxypropyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 12876541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).