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

C11H20N4O2 — CID 80842663

IUPAC2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCCNc1nc(C)cc(NC(CO)CO)n1
InChIInChI=1S/C11H20N4O2/c1-3-4-12-11-13-8(2)5-10(15-11)14-9(6-16)7-17/h5,9,16-17H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyGPZBBXUDFJCCFJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.37
Rot. Bonds7

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

2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol (PubChem CID 80842663) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
PubChem CID80842663
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCCNc1nc(C)cc(NC(CO)CO)n1
InChIInChI=1S/C11H20N4O2/c1-3-4-12-11-13-8(2)5-10(15-11)14-9(6-16)7-17/h5,9,16-17H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyGPZBBXUDFJCCFJ-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80800524
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80800452
4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159611
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 60725889
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 113478373
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol (CID 80842663) is 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol is CCCNc1nc(C)cc(NC(CO)CO)n1.
What is the InChIKey of 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The InChIKey is GPZBBXUDFJCCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-4-12-11-13-8(2)5-10(15-11)14-9(6-16)7-17/h5,9,16-17H,3-4,6-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol has a molecular weight of 240.31 g/mol, XLogP of 0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 80842663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).