3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol

C9H16N4O2 — CID 171857762

IUPAC3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol
SMILESCNCC(O)C(O)c1cnc(NC)nc1
InChIInChI=1S/C9H16N4O2/c1-10-5-7(14)8(15)6-3-12-9(11-2)13-4-6/h3-4,7-8,10,14-15H,5H2,1-2H3,(H,11,12,13)
InChIKeyWEBIPMCFHAQDFU-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.87
Rot. Bonds5

About 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol

3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol (PubChem CID 171857762) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol
PubChem CID171857762
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol
SMILESCNCC(O)C(O)c1cnc(NC)nc1
InChIInChI=1S/C9H16N4O2/c1-10-5-7(14)8(15)6-3-12-9(11-2)13-4-6/h3-4,7-8,10,14-15H,5H2,1-2H3,(H,11,12,13)
InChIKeyWEBIPMCFHAQDFU-UHFFFAOYSA-N
XLogP-0.87
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide
CID 171898981
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
CID 171858316
1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857949
2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile
CID 171858087
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392
3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol
CID 171857381
3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
CID 171857694
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359
1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857583
3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
CID 171857789
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol (CID 171857762) is 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol is CNCC(O)C(O)c1cnc(NC)nc1.
What is the InChIKey of 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol?
The InChIKey is WEBIPMCFHAQDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-10-5-7(14)8(15)6-3-12-9(11-2)13-4-6/h3-4,7-8,10,14-15H,5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol?
3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol is sourced from PubChem (CID 171857762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).