(8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one

C27H30FN5O3 — CID 70290058

IUPAC(8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESC=CN(/C=C(/C)N)c1ccc(/C=C2\CN(C)C(=O)N3C2=NCC3(CO)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C27H30FN5O3/c1-5-32(14-18(2)29)23-11-6-19(13-24(23)36-4)12-20-15-31(3)26(35)33-25(20)30-16-27(33,17-34)21-7-9-22(28)10-8-21/h5-14,34H,1,15-17,29H2,2-4H3/b18-14-,20-12+
InChIKeyCZNUECCLBNOHST-FFCDSKAPSA-N
MW491.57 g/mol
LogP3.65
Rot. Bonds7

About (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one

(8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one (PubChem CID 70290058) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name(8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one
PubChem CID70290058
Molecular FormulaC27H30FN5O3
Molecular Weight491.57 g/mol
Exact Mass491.23
IUPAC Name(8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESC=CN(/C=C(/C)N)c1ccc(/C=C2\CN(C)C(=O)N3C2=NCC3(CO)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C27H30FN5O3/c1-5-32(14-18(2)29)23-11-6-19(13-24(23)36-4)12-20-15-31(3)26(35)33-25(20)30-16-27(33,17-34)21-7-9-22(28)10-8-21/h5-14,34H,1,15-17,29H2,2-4H3/b18-14-,20-12+
InChIKeyCZNUECCLBNOHST-FFCDSKAPSA-N
XLogP3.65
TPSA94.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one (CID 70290058) is (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one is C=CN(/C=C(/C)N)c1ccc(/C=C2\CN(C)C(=O)N3C2=NCC3(CO)c2ccc(F)cc2)cc1OC.
What is the InChIKey of (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is CZNUECCLBNOHST-FFCDSKAPSA-N. The full InChI is InChI=1S/C27H30FN5O3/c1-5-32(14-18(2)29)23-11-6-19(13-24(23)36-4)12-20-15-31(3)26(35)33-25(20)30-16-27(33,17-34)21-7-9-22(28)10-8-21/h5-14,34H,1,15-17,29H2,2-4H3/b18-14-,20-12+.
What are the key properties of (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one?
(8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 491.57 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-[[4-[[(Z)-2-aminoprop-1-enyl]-ethenylamino]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-3-(hydroxymethyl)-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 70290058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).