(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid

C13H17N5O2 — CID 162652533

IUPAC(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC[C@@H](Nc1nc(N)nc2cccnc12)C(=O)O
InChIInChI=1S/C13H17N5O2/c1-2-3-5-9(12(19)20)16-11-10-8(6-4-7-15-10)17-13(14)18-11/h4,6-7,9H,2-3,5H2,1H3,(H,19,20)(H3,14,16,17,18)/t9-/m1/s1
InChIKeyCUISRYABPLGJHM-SECBINFHSA-N
MW275.31 g/mol
LogP1.66
Rot. Bonds6

About (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid

(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 162652533) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid
PubChem CID162652533
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC[C@@H](Nc1nc(N)nc2cccnc12)C(=O)O
InChIInChI=1S/C13H17N5O2/c1-2-3-5-9(12(19)20)16-11-10-8(6-4-7-15-10)17-13(14)18-11/h4,6-7,9H,2-3,5H2,1H3,(H,19,20)(H3,14,16,17,18)/t9-/m1/s1
InChIKeyCUISRYABPLGJHM-SECBINFHSA-N
XLogP1.66
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid (CID 162652533) is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid is CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(=O)O.
What is the InChIKey of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is CUISRYABPLGJHM-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-3-5-9(12(19)20)16-11-10-8(6-4-7-15-10)17-13(14)18-11/h4,6-7,9H,2-3,5H2,1H3,(H,19,20)(H3,14,16,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid?
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 162652533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).