1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol

C8H13N3O3 — CID 170817665

IUPAC1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
SMILESCc1nc(N)ncc1C(O)C(O)CO
InChIInChI=1S/C8H13N3O3/c1-4-5(2-10-8(9)11-4)7(14)6(13)3-12/h2,6-7,12-14H,3H2,1H3,(H2,9,10,11)
InChIKeyCYXGPSUMCQTLKW-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.25
Rot. Bonds3

About 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol

1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol (PubChem CID 170817665) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
PubChem CID170817665
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
SMILESCc1nc(N)ncc1C(O)C(O)CO
InChIInChI=1S/C8H13N3O3/c1-4-5(2-10-8(9)11-4)7(14)6(13)3-12/h2,6-7,12-14H,3H2,1H3,(H2,9,10,11)
InChIKeyCYXGPSUMCQTLKW-UHFFFAOYSA-N
XLogP-1.25
TPSA112.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
CID 171881061
3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
CID 170827687
4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877478
N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide
CID 170818483
1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol
CID 170817285
N-[4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882852
1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2,4-triol
CID 171873020
1-(2-amino-4-chloropyrimidin-5-yl)-4-sulfanylbutane-1,2-diol
CID 171873895
1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872435
S-[4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171875687
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
1-(4-amino-2-chloro-5-methylphenyl)propane-1,2,3-triol
CID 170817875

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol?
The IUPAC name of 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol (CID 170817665) is 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol is Cc1nc(N)ncc1C(O)C(O)CO.
What is the InChIKey of 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol?
The InChIKey is CYXGPSUMCQTLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-4-5(2-10-8(9)11-4)7(14)6(13)3-12/h2,6-7,12-14H,3H2,1H3,(H2,9,10,11).
What are the key properties of 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol?
1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol has a molecular weight of 199.21 g/mol, XLogP of -1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol is sourced from PubChem (CID 170817665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).