N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C18H21FN6 — CID 67241991

IUPACN-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCCN(c1ccnc(-c2cnc3ccc(F)cn23)n1)[C@@H]1CCCNC1
InChIInChI=1S/C18H21FN6/c1-2-24(14-4-3-8-20-10-14)17-7-9-21-18(23-17)15-11-22-16-6-5-13(19)12-25(15)16/h5-7,9,11-12,14,20H,2-4,8,10H2,1H3/t14-/m1/s1
InChIKeyJFFWFABZHYIXAL-CQSZACIVSA-N
MW340.41 g/mol
LogP2.51
Rot. Bonds4

About N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 67241991) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID67241991
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC NameN-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCCN(c1ccnc(-c2cnc3ccc(F)cn23)n1)[C@@H]1CCCNC1
InChIInChI=1S/C18H21FN6/c1-2-24(14-4-3-8-20-10-14)17-7-9-21-18(23-17)15-11-22-16-6-5-13(19)12-25(15)16/h5-7,9,11-12,14,20H,2-4,8,10H2,1H3/t14-/m1/s1
InChIKeyJFFWFABZHYIXAL-CQSZACIVSA-N
XLogP2.51
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 67241991) is N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is CCN(c1ccnc(-c2cnc3ccc(F)cn23)n1)[C@@H]1CCCNC1.
What is the InChIKey of N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is JFFWFABZHYIXAL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21FN6/c1-2-24(14-4-3-8-20-10-14)17-7-9-21-18(23-17)15-11-22-16-6-5-13(19)12-25(15)16/h5-7,9,11-12,14,20H,2-4,8,10H2,1H3/t14-/m1/s1.
What are the key properties of N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 340.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 67241991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).