2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol

C12H22N4O3 — CID 107855651

IUPAC2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol
SMILESCNc1ncnc(NC(CO)(CO)CO)c1C(C)C
InChIInChI=1S/C12H22N4O3/c1-8(2)9-10(13-3)14-7-15-11(9)16-12(4-17,5-18)6-19/h7-8,17-19H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyFXIOBLOAZSLPDF-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.23
Rot. Bonds7

About 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol

2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol (PubChem CID 107855651) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol
PubChem CID107855651
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol
SMILESCNc1ncnc(NC(CO)(CO)CO)c1C(C)C
InChIInChI=1S/C12H22N4O3/c1-8(2)9-10(13-3)14-7-15-11(9)16-12(4-17,5-18)6-19/h7-8,17-19H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyFXIOBLOAZSLPDF-UHFFFAOYSA-N
XLogP-0.23
TPSA110.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
2,2-difluoro-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 114154604
3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 80848028
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 114008881
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80889774
[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80803951
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804448
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
CID 106288894
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol (CID 107855651) is 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol is CNc1ncnc(NC(CO)(CO)CO)c1C(C)C.
What is the InChIKey of 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol?
The InChIKey is FXIOBLOAZSLPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(2)9-10(13-3)14-7-15-11(9)16-12(4-17,5-18)6-19/h7-8,17-19H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol?
2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol has a molecular weight of 270.33 g/mol, XLogP of -0.23, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 107855651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).