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

C10H17N3O4 — CID 107845624

IUPAC2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCOc1ccc(N)c(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H17N3O4/c1-17-8-3-2-7(11)9(12-8)13-10(4-14,5-15)6-16/h2-3,14-16H,4-6,11H2,1H3,(H,12,13)
InChIKeyGRMRCJISRYCRSV-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.20
Rot. Bonds6

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

2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107845624) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107845624
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCOc1ccc(N)c(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H17N3O4/c1-17-8-3-2-7(11)9(12-8)13-10(4-14,5-15)6-16/h2-3,14-16H,4-6,11H2,1H3,(H,12,13)
InChIKeyGRMRCJISRYCRSV-UHFFFAOYSA-N
XLogP-1.20
TPSA120.86 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845390
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
6-methoxy-2-N-propan-2-ylpyridine-2,3-diamine
CID 115320271
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184124
6-methoxy-2-N-(2-methylprop-2-enyl)pyridine-2,3-diamine
CID 114615186
2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
CID 115320270
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113286599
[1-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 103965461
6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115320787
6-methoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,3-diamine
CID 106217296
1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141783

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107845624) is 2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is COc1ccc(N)c(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is GRMRCJISRYCRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-17-8-3-2-7(11)9(12-8)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-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 243.26 g/mol, XLogP of -1.20, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107845624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).