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

C11H20N4O2 — CID 80950100

IUPAC2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCCc1nc(NC)cc(NC(CO)CO)n1
InChIInChI=1S/C11H20N4O2/c1-3-4-9-14-10(12-2)5-11(15-9)13-8(6-16)7-17/h5,8,16-17H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyFZDAYQBYNURZPU-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.24
Rot. Bonds7

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

2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol (PubChem CID 80950100) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
PubChem CID80950100
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCCc1nc(NC)cc(NC(CO)CO)n1
InChIInChI=1S/C11H20N4O2/c1-3-4-9-14-10(12-2)5-11(15-9)13-8(6-16)7-17/h5,8,16-17H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyFZDAYQBYNURZPU-UHFFFAOYSA-N
XLogP0.24
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(methylamino)-2-propylpyrimidin-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

2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
CID 83180465
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80950094
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 80937394
N-methyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955339
2-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]propane-1,3-diol
CID 115915673
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 113496687

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol (CID 80950100) is 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol is CCCc1nc(NC)cc(NC(CO)CO)n1.
What is the InChIKey of 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol?
The InChIKey is FZDAYQBYNURZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-4-9-14-10(12-2)5-11(15-9)13-8(6-16)7-17/h5,8,16-17H,3-4,6-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol?
2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol has a molecular weight of 240.31 g/mol, XLogP of 0.24, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 80950100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).