3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol

C9H16N4O2 — CID 80851001

IUPAC3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCNc1cc(NCC(O)CO)nc(C)n1
InChIInChI=1S/C9H16N4O2/c1-6-12-8(10-2)3-9(13-6)11-4-7(15)5-14/h3,7,14-15H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyKFRXVUXCNXOWDA-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.41
Rot. Bonds5

About 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol

3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 80851001) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
PubChem CID80851001
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCNc1cc(NCC(O)CO)nc(C)n1
InChIInChI=1S/C9H16N4O2/c1-6-12-8(10-2)3-9(13-6)11-4-7(15)5-14/h3,7,14-15H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyKFRXVUXCNXOWDA-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol with MolForge

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Related Compounds

3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 106772397
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66326521
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779813
4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 121206030
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780227
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80850604
1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159886
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
1-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80933620
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80836350

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol (CID 80851001) is 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol is CNc1cc(NCC(O)CO)nc(C)n1.
What is the InChIKey of 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The InChIKey is KFRXVUXCNXOWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-12-8(10-2)3-9(13-6)11-4-7(15)5-14/h3,7,14-15H,4-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 80851001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).