4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline

C19H20FN5 — CID 144718037

IUPAC4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline
SMILESCNc1ccc(F)c(-c2cn3cc(C4=CCCN(C)C4)cnc3n2)c1
InChIInChI=1S/C19H20FN5/c1-21-15-5-6-17(20)16(8-15)18-12-25-11-14(9-22-19(25)23-18)13-4-3-7-24(2)10-13/h4-6,8-9,11-12,21H,3,7,10H2,1-2H3
InChIKeyIBVDFCCRAJCNOV-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.30
Rot. Bonds3

About 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline

4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline (PubChem CID 144718037) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline
PubChem CID144718037
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline
SMILESCNc1ccc(F)c(-c2cn3cc(C4=CCCN(C)C4)cnc3n2)c1
InChIInChI=1S/C19H20FN5/c1-21-15-5-6-17(20)16(8-15)18-12-25-11-14(9-22-19(25)23-18)13-4-3-7-24(2)10-13/h4-6,8-9,11-12,21H,3,7,10H2,1-2H3
InChIKeyIBVDFCCRAJCNOV-UHFFFAOYSA-N
XLogP3.30
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 144718172
acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline
CID 144718161
4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 144718108
N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118875214
N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118875238
2-(2-fluoro-5-methylphenyl)-6-(5-fluoro-3-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidine
CID 144718157
N-[4-chloro-3-[6-[4-(methylamino)phenyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 86296948
3-fluoro-N-[4-fluoro-3-[6-(propan-2-ylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 123265101
4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride
CID 118875275
N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 159449093
N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 86296181
N-[4-fluoro-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162651

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline?
The IUPAC name of 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline (CID 144718037) is 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline is CNc1ccc(F)c(-c2cn3cc(C4=CCCN(C)C4)cnc3n2)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline?
The InChIKey is IBVDFCCRAJCNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-21-15-5-6-17(20)16(8-15)18-12-25-11-14(9-22-19(25)23-18)13-4-3-7-24(2)10-13/h4-6,8-9,11-12,21H,3,7,10H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline?
4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline has a molecular weight of 337.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline is sourced from PubChem (CID 144718037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).