(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid

C14H18FN5O2 — CID 162670141

IUPAC(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid
SMILESCCCC[C@@](C)(Nc1nc(N)nc2cc(F)cnc12)C(=O)O
InChIInChI=1S/C14H18FN5O2/c1-3-4-5-14(2,12(21)22)20-11-10-9(18-13(16)19-11)6-8(15)7-17-10/h6-7H,3-5H2,1-2H3,(H,21,22)(H3,16,18,19,20)/t14-/m1/s1
InChIKeyFLUQUUMSIVSTAF-CQSZACIVSA-N
MW307.33 g/mol
LogP2.19
Rot. Bonds6

About (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid

(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid (PubChem CID 162670141) has the molecular formula C14H18FN5O2 and a molecular weight of 307.33 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid
PubChem CID162670141
Molecular FormulaC14H18FN5O2
Molecular Weight307.33 g/mol
Exact Mass307.14
IUPAC Name(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid
SMILESCCCC[C@@](C)(Nc1nc(N)nc2cc(F)cnc12)C(=O)O
InChIInChI=1S/C14H18FN5O2/c1-3-4-5-14(2,12(21)22)20-11-10-9(18-13(16)19-11)6-8(15)7-17-10/h6-7H,3-5H2,1-2H3,(H,21,22)(H3,16,18,19,20)/t14-/m1/s1
InChIKeyFLUQUUMSIVSTAF-CQSZACIVSA-N
XLogP2.19
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid?
The IUPAC name of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid (CID 162670141) is (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid is CCCC[C@@](C)(Nc1nc(N)nc2cc(F)cnc12)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid?
The InChIKey is FLUQUUMSIVSTAF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18FN5O2/c1-3-4-5-14(2,12(21)22)20-11-10-9(18-13(16)19-11)6-8(15)7-17-10/h6-7H,3-5H2,1-2H3,(H,21,22)(H3,16,18,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid?
(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid has a molecular weight of 307.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexanoic acid is sourced from PubChem (CID 162670141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).