2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol

C10H17N3O2 — CID 83265169

IUPAC2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol
SMILESCc1cnc(NC(C)(CO)CO)cc1N
InChIInChI=1S/C10H17N3O2/c1-7-4-12-9(3-8(7)11)13-10(2,5-14)6-15/h3-4,14-15H,5-6H2,1-2H3,(H3,11,12,13)
InChIKeyZLMWTIBVIFWCCA-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.13
Rot. Bonds4

About 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol

2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol (PubChem CID 83265169) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol
PubChem CID83265169
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol
SMILESCc1cnc(NC(C)(CO)CO)cc1N
InChIInChI=1S/C10H17N3O2/c1-7-4-12-9(3-8(7)11)13-10(2,5-14)6-15/h3-4,14-15H,5-6H2,1-2H3,(H3,11,12,13)
InChIKeyZLMWTIBVIFWCCA-UHFFFAOYSA-N
XLogP0.13
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol (CID 83265169) is 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol is Cc1cnc(NC(C)(CO)CO)cc1N.
What is the InChIKey of 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol?
The InChIKey is ZLMWTIBVIFWCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-4-12-9(3-8(7)11)13-10(2,5-14)6-15/h3-4,14-15H,5-6H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol?
2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol has a molecular weight of 211.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 83265169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).