2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol

C10H17N3O3 — CID 107845390

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCc1ccc(N)c(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H17N3O3/c1-7-2-3-8(11)9(12-7)13-10(4-14,5-15)6-16/h2-3,14-16H,4-6,11H2,1H3,(H,12,13)
InChIKeyBXLHZFPMVINOLP-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.90
Rot. Bonds5

About 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107845390) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107845390
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCc1ccc(N)c(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H17N3O3/c1-7-2-3-8(11)9(12-7)13-10(4-14,5-15)6-16/h2-3,14-16H,4-6,11H2,1H3,(H,12,13)
InChIKeyBXLHZFPMVINOLP-UHFFFAOYSA-N
XLogP-0.90
TPSA111.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107845390) is 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is Cc1ccc(N)c(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is BXLHZFPMVINOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-2-3-8(11)9(12-7)13-10(4-14,5-15)6-16/h2-3,14-16H,4-6,11H2,1H3,(H,12,13).
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of -0.90, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107845390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).