acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline

C20H21FN4O2 — CID 144718161

IUPACacetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline
SMILESCC=O.CNc1ccc(F)c(-c2cn3cc(C4=CCOCC4)cnc3n2)c1
InChIInChI=1S/C18H17FN4O.C2H4O/c1-20-14-2-3-16(19)15(8-14)17-11-23-10-13(9-21-18(23)22-17)12-4-6-24-7-5-12;1-2-3/h2-4,8-11,20H,5-7H2,1H3;2H,1H3
InChIKeyYUDBHKVMKMJZHM-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.59
Rot. Bonds3

About acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline

acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline (PubChem CID 144718161) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound Nameacetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline
PubChem CID144718161
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Nameacetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline
SMILESCC=O.CNc1ccc(F)c(-c2cn3cc(C4=CCOCC4)cnc3n2)c1
InChIInChI=1S/C18H17FN4O.C2H4O/c1-20-14-2-3-16(19)15(8-14)17-11-23-10-13(9-21-18(23)22-17)12-4-6-24-7-5-12;1-2-3/h2-4,8-11,20H,5-7H2,1H3;2H,1H3
InChIKeyYUDBHKVMKMJZHM-UHFFFAOYSA-N
XLogP3.59
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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
4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 144718172
4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 144718108
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-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
1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide
CID 144718028
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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline?
The IUPAC name of acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline (CID 144718161) is acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline.
What is the SMILES notation for acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline?
The canonical SMILES for acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline is CC=O.CNc1ccc(F)c(-c2cn3cc(C4=CCOCC4)cnc3n2)c1.
What is the InChIKey of acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline?
The InChIKey is YUDBHKVMKMJZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O.C2H4O/c1-20-14-2-3-16(19)15(8-14)17-11-23-10-13(9-21-18(23)22-17)12-4-6-24-7-5-12;1-2-3/h2-4,8-11,20H,5-7H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline?
acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline has a molecular weight of 368.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 144718161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).