2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine

C19H24FN7O — CID 86692691

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
SMILESCOCCNc1cc(N[C@@H]2CCCNC2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C19H24FN7O/c1-28-8-7-22-16-9-17(24-14-3-2-6-21-10-14)26-19(25-16)15-11-23-18-5-4-13(20)12-27(15)18/h4-5,9,11-12,14,21H,2-3,6-8,10H2,1H3,(H2,22,24,25,26)/t14-/m1/s1
InChIKeyAGGJSEGLHUDKAN-CQSZACIVSA-N
MW385.45 g/mol
LogP2.15
Rot. Bonds7

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine (PubChem CID 86692691) has the molecular formula C19H24FN7O and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
PubChem CID86692691
Molecular FormulaC19H24FN7O
Molecular Weight385.45 g/mol
Exact Mass385.20
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
SMILESCOCCNc1cc(N[C@@H]2CCCNC2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C19H24FN7O/c1-28-8-7-22-16-9-17(24-14-3-2-6-21-10-14)26-19(25-16)15-11-23-18-5-4-13(20)12-27(15)18/h4-5,9,11-12,14,21H,2-3,6-8,10H2,1H3,(H2,22,24,25,26)/t14-/m1/s1
InChIKeyAGGJSEGLHUDKAN-CQSZACIVSA-N
XLogP2.15
TPSA88.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine (CID 86692691) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine is COCCNc1cc(N[C@@H]2CCCNC2)nc(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine?
The InChIKey is AGGJSEGLHUDKAN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24FN7O/c1-28-8-7-22-16-9-17(24-14-3-2-6-21-10-14)26-19(25-16)15-11-23-18-5-4-13(20)12-27(15)18/h4-5,9,11-12,14,21H,2-3,6-8,10H2,1H3,(H2,22,24,25,26)/t14-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine has a molecular weight of 385.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 86692691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).